2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine

C57H121N7 — CID 158263077

IUPAC2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CNC1
InChIInChI=1S/3C9H19N.2C8H17N.2C7H15N/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-8-6/h3*8,10H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;2*6,8H,4-5H2,1-3H3
InChIKeyGICOHZQKHFYJNS-UHFFFAOYSA-N
MW904.64 g/mol
LogP12.31
Rot. Bonds

About 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine

2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine (PubChem CID 158263077) has the molecular formula C57H121N7 and a molecular weight of 904.64 g/mol. Its IUPAC name is 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine.

Molecular Properties

Compound Name2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
PubChem CID158263077
Molecular FormulaC57H121N7
Molecular Weight904.64 g/mol
Exact Mass903.97
IUPAC Name2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CNC1
InChIInChI=1S/3C9H19N.2C8H17N.2C7H15N/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-8-6/h3*8,10H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;2*6,8H,4-5H2,1-3H3
InChIKeyGICOHZQKHFYJNS-UHFFFAOYSA-N
XLogP12.31
TPSA84.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500904.64
LogP ≤ 512.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine;1-(5,5-dimethylhexyl)pyrrolidine
CID 157814677
N,N-dimethyl-3-propan-2-ylcyclobutan-1-amine;methane;1-methyl-3-(2-methylpropyl)azetidine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane;N-methyl-3-propan-2-ylcyclobutan-1-amine;N-methyl-4-propan-2-ylcyclohexan-1-amine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 159987558
1-methyl-3-(2-methylpropyl)azetidine;(2R)-1-methyl-2-(2-methylpropyl)pyrrolidine;2-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpyrrolidine
CID 160333907
1-Methyl-3-(2-methylpropyl)azetidine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 160333908
6-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butylazetidine;3-tert-butylpiperidine;4-tert-butylpiperidine;3-tert-butylpyrrolidine;methane
CID 161176407
Methane;tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
CID 161260674
Ethane;2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 161531318
1-ethylpiperazine;2-[3-[2-[(4S)-2-[(1-methylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]ethyl]-1-(2-propylpentyl)azetidin-3-yl]ethanamine;2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 162741990
2,2-Di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine
CID 163484807
8-Methyl-3-(2-methyl-2,9-diazaspiro[4.5]decan-7-yl)-6-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,8-diazaspiro[4.5]decane
CID 163488420
Tris(1-propan-2-ylazetidine);propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
CID 164154330
Azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane
CID 165019313

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine?
The IUPAC name of 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine (CID 158263077) is 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine.
What is the SMILES notation for 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine?
The canonical SMILES for 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine is CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CNC1.
What is the InChIKey of 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine?
The InChIKey is GICOHZQKHFYJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.2C8H17N.2C7H15N/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-8-6/h3*8,10H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;2*6,8H,4-5H2,1-3H3.
What are the key properties of 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine?
2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine has a molecular weight of 904.64 g/mol, XLogP of 12.31, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine is sourced from PubChem (CID 158263077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).