1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)

C59H128N6 — CID 160613560

IUPAC1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)
SMILESCC.CC.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCCCC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.5C9H19N.2C2H6/c1-9-5-7-11(8-6-9)10(2,3)4;1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)10-7-5-3-4-6-8-10;2*1-2/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;2*9H,3-8H2,1-2H3;2*1-2H3
InChIKeyRFUFQMPUYZYSHM-UHFFFAOYSA-N
MW921.71 g/mol
LogP15.78
Rot. Bonds2

About 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)

1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane) (PubChem CID 160613560) has the molecular formula C59H128N6 and a molecular weight of 921.71 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane).

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)
PubChem CID160613560
Molecular FormulaC59H128N6
Molecular Weight921.71 g/mol
Exact Mass921.02
IUPAC Name1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)
SMILESCC.CC.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCCCC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.5C9H19N.2C2H6/c1-9-5-7-11(8-6-9)10(2,3)4;1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)10-7-5-3-4-6-8-10;2*1-2/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;2*9H,3-8H2,1-2H3;2*1-2H3
InChIKeyRFUFQMPUYZYSHM-UHFFFAOYSA-N
XLogP15.78
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.71
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
2,6-Ditert-butyl-2,6-diazabicyclo[3.2.2]nonane;2,6-ditert-butyl-2,6-diazabicyclo[3.2.1]octane;3,6-ditert-butyl-3,6-diazabicyclo[3.2.1]octane
CID 157530196
4-Ethyl-1-propan-2-ylazepane;4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylazepane;4-methyl-1-propan-2-ylpiperidine
CID 157794033
Bis(1-tert-butylazepane);bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 158002991
Bis(1-tert-butylazepane);tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine
CID 158008113
1-Tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine
CID 158109596
1-Tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;4-tert-butylthiomorpholine;ethane;methane;bis(1-propan-2-ylazepane)
CID 158923849
Bis(1-tert-butylazepane);bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine
CID 159239300
3,8-Di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
CID 159274253
3,8-Di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
CID 159832079
3,8-Di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
CID 159833332
1-Tert-butyl-4-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine
CID 159897643

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)?
The IUPAC name of 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane) (CID 160613560) is 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane).
What is the SMILES notation for 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)?
The canonical SMILES for 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane) is CC.CC.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCCCC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)?
The InChIKey is RFUFQMPUYZYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.5C9H19N.2C2H6/c1-9-5-7-11(8-6-9)10(2,3)4;1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)10-7-5-3-4-6-8-10;2*1-2/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;2*9H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane)?
1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane) has a molecular weight of 921.71 g/mol, XLogP of 15.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;bis(1-tert-butylpiperidine);ethane;bis(1-propan-2-ylazepane) is sourced from PubChem (CID 160613560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).