1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine

C111H237N15 — CID 161399680

IUPAC1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine
SMILESCC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCN1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CCCN1CCC1.CCCN1CCCC1.CCCN1CCCCC1.CCCN1CCCCC1.CCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C9H19N.4C8H17N.5C7H15N.2C6H13N.C5H11N/c2*1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-2-6-9-7-4-3-5-8-9;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-5-8-6;2*1-2-8-6-4-3-5-7-8;1-2-5-8-6-3-4-7-8;1-2-7-5-3-4-6-7;1-2-4-7-5-3-6-7;1-2-6-4-3-5-6/h2*4-8H2,1-3H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*2-8H2,1H3;4-6H2,1-3H3;6,8H,4-5H2,1-3H3;3*2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3
InChIKeyVUBKAVNBEBMLHB-UHFFFAOYSA-N
MW1782.22 g/mol
LogP24.42
Rot. Bonds12

About 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine

1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine (PubChem CID 161399680) has the molecular formula C111H237N15 and a molecular weight of 1782.22 g/mol. Its IUPAC name is 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine.

Molecular Properties

Compound Name1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine
PubChem CID161399680
Molecular FormulaC111H237N15
Molecular Weight1782.22 g/mol
Exact Mass1780.90
IUPAC Name1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine
SMILESCC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCN1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CCCN1CCC1.CCCN1CCCC1.CCCN1CCCCC1.CCCN1CCCCC1.CCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C9H19N.4C8H17N.5C7H15N.2C6H13N.C5H11N/c2*1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-2-6-9-7-4-3-5-8-9;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-5-8-6;2*1-2-8-6-4-3-5-7-8;1-2-5-8-6-3-4-7-8;1-2-7-5-3-4-6-7;1-2-4-7-5-3-6-7;1-2-6-4-3-5-6/h2*4-8H2,1-3H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*2-8H2,1H3;4-6H2,1-3H3;6,8H,4-5H2,1-3H3;3*2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3
InChIKeyVUBKAVNBEBMLHB-UHFFFAOYSA-N
XLogP24.42
TPSA74.97 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.22
LogP ≤ 524.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

5-[[(2R,6S)-4-tert-butyl-6-[[2-[2,3-dimethyl-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-5-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-yl]methyl]piperazin-2-yl]methyl]-2-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-methyl-2,7-diazaspiro[3.5]nonane
CID 146201388
8-Tert-butyl-2,8-diazaspiro[4.5]decane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;2,9-diazaspiro[4.5]decane;2,7-diazaspiro[4.4]nonane;octakis(2-methylpropane);2-propan-2-yl-2,8-diazaspiro[5.5]undecane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 157824315
bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
CID 158176484
1-Tert-butyl-1-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,8-diazaspiro[3.5]nonane
CID 159238041
9-Tert-butyl-2-methyl-1,9-diazaspiro[4.5]decane;2-methyl-7-propan-2-yl-7-azaspiro[3.5]nonane;1-methyl-8-propan-2-yl-1,8-diazaspiro[4.5]decane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;6-methyl-2-propan-2-yl-2,6-diazaspiro[4.5]decane;8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane;1-methyl-7-propan-2-yl-1,7-diazaspiro[3.5]nonane;1-methyl-8-propan-2-yl-1,8-diazaspiro[3.5]nonane;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 160238079
7-Tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;methane;tetrakis(2-methylpropane)
CID 160386571
2,8-Diazaspiro[4.5]decane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[4.4]nonane;2,7-diazaspiro[3.4]octane;4,7-diazaspiro[2.5]octane;1,9-diazaspiro[5.5]undecane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane
CID 160906790
2-Methyl-2,8-diazaspiro[4.5]decane;2-methyl-2,9-diazaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decane;2-methyl-2,7-diazaspiro[3.5]nonane;2-methyl-2,7-diazaspiro[4.4]nonane;7-methyl-2,7-diazaspiro[3.5]nonane;3-methyl-3,9-diazaspiro[5.5]undecane
CID 160909114
2-Tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane
CID 161013570
8-Tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;bis(2,7-diazaspiro[4.4]nonane);2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;bis(2,2-dimethylpropane);decakis(2-methylpropane)
CID 161506899
2-Methyl-2,8-diazaspiro[4.5]decane;2-methyl-2,9-diazaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decane;2-methyl-2,7-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane;3-methyl-3,9-diazaspiro[5.5]undecane
CID 161518920
Bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);2,9-dimethyl-2,9-diazaspiro[4.5]decane;bis(1,6-dimethyl-1,6-diazaspiro[3.3]heptane);2,6-dimethyl-2,6-diazaspiro[3.3]heptane;bis(1,7-dimethyl-1,7-diazaspiro[4.4]nonane);bis(2,7-dimethyl-2,7-diazaspiro[3.5]nonane);2,7-dimethyl-2,7-diazaspiro[4.4]nonane;bis(2,8-dimethyl-2,8-diazaspiro[3.5]nonane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;methane;2-methyl-2,8-diazaspiro[5.5]undecane
CID 161565157

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine?
The IUPAC name of 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine (CID 161399680) is 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine.
What is the SMILES notation for 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine?
The canonical SMILES for 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine is CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCN1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CCCN1CCC1.CCCN1CCCC1.CCCN1CCCCC1.CCCN1CCCCC1.CCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.
What is the InChIKey of 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine?
The InChIKey is VUBKAVNBEBMLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.4C8H17N.5C7H15N.2C6H13N.C5H11N/c2*1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-2-6-9-7-4-3-5-8-9;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-5-8-6;2*1-2-8-6-4-3-5-7-8;1-2-5-8-6-3-4-7-8;1-2-7-5-3-4-6-7;1-2-4-7-5-3-6-7;1-2-6-4-3-5-6/h2*4-8H2,1-3H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*2-8H2,1H3;4-6H2,1-3H3;6,8H,4-5H2,1-3H3;3*2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine?
1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine has a molecular weight of 1782.22 g/mol, XLogP of 24.42, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;2-tert-butylazetidine;bis(1-tert-butylpiperidine);2-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-ethylazetidine;bis(1-ethylpiperidine);1-ethylpyrrolidine;1-propylazetidine;bis(1-propylpiperidine);1-propylpyrrolidine is sourced from PubChem (CID 161399680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).