N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine

C19H38N2 — CID 103965789

IUPACN-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC(CC1CCCCCN1)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C19H38N2/c1-15(11-16-9-7-6-8-10-20-16)21-17-12-18(2,3)14-19(4,5)13-17/h15-17,20-21H,6-14H2,1-5H3
InChIKeyUGPZEZUDOQVIPW-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.49
Rot. Bonds4

About N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103965789) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103965789
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC(CC1CCCCCN1)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C19H38N2/c1-15(11-16-9-7-6-8-10-20-16)21-17-12-18(2,3)14-19(4,5)13-17/h15-17,20-21H,6-14H2,1-5H3
InChIKeyUGPZEZUDOQVIPW-UHFFFAOYSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79560325
4,4-dimethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79541757
2,2,3,3-tetramethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclopropan-1-amine
CID 79539151
N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine
CID 79560963
2,2-diethyl-N-(1-piperidin-2-ylpropan-2-yl)oxan-4-amine
CID 83033132
N-(1-piperidin-2-ylpropan-2-yl)-4-propylcyclohexan-1-amine
CID 79538652
1-cyclopropyl-N-(1-piperidin-2-ylpropan-2-yl)piperidin-4-amine
CID 79538874
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79541223
N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 114094809
1-[[1-(azepan-2-yl)propan-2-ylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79541195

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103965789) is N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine is CC(CC1CCCCCN1)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is UGPZEZUDOQVIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15(11-16-9-7-6-8-10-20-16)21-17-12-18(2,3)14-19(4,5)13-17/h15-17,20-21H,6-14H2,1-5H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103965789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).