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

C16H32N2 — CID 79560325

IUPACN-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC(CC1CCCCCN1)NC1C(C)(C)C1(C)C
InChIInChI=1S/C16H32N2/c1-12(11-13-9-7-6-8-10-17-13)18-14-15(2,3)16(14,4)5/h12-14,17-18H,6-11H2,1-5H3
InChIKeyPCFVYAUZCSLWGQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.32
Rot. Bonds4

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

N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79560325) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79560325
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC(CC1CCCCCN1)NC1C(C)(C)C1(C)C
InChIInChI=1S/C16H32N2/c1-12(11-13-9-7-6-8-10-17-13)18-14-15(2,3)16(14,4)5/h12-14,17-18H,6-11H2,1-5H3
InChIKeyPCFVYAUZCSLWGQ-UHFFFAOYSA-N
XLogP3.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetramethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclopropan-1-amine
CID 79539151
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965789
4,4-dimethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79541757
N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 114094809
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine
CID 79560963
2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79548793
1-[[1-(azepan-2-yl)propan-2-ylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79541195
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
CID 79559883

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79560325) is N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine is CC(CC1CCCCCN1)NC1C(C)(C)C1(C)C.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is PCFVYAUZCSLWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(11-13-9-7-6-8-10-17-13)18-14-15(2,3)16(14,4)5/h12-14,17-18H,6-11H2,1-5H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.32, 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]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79560325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).