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

C14H29N3 — CID 79560963

IUPACN-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine
SMILESCC(CC1CCCCCN1)NC1CCN(C)C1
InChIInChI=1S/C14H29N3/c1-12(16-14-7-9-17(2)11-14)10-13-6-4-3-5-8-15-13/h12-16H,3-11H2,1-2H3
InChIKeyCZBHCOBYFQXUSM-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.59
Rot. Bonds4

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

N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine (PubChem CID 79560963) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine
PubChem CID79560963
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine
SMILESCC(CC1CCCCCN1)NC1CCN(C)C1
InChIInChI=1S/C14H29N3/c1-12(16-14-7-9-17(2)11-14)10-13-6-4-3-5-8-15-13/h12-16H,3-11H2,1-2H3
InChIKeyCZBHCOBYFQXUSM-UHFFFAOYSA-N
XLogP1.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
N-(1-piperidin-2-ylpropan-2-yl)-1-propylpiperidin-4-amine
CID 79549171
1-cyclopropyl-N-(1-piperidin-2-ylpropan-2-yl)piperidin-4-amine
CID 79538874
N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538653
N-(1-piperidin-2-ylpropan-2-yl)-4-propylcyclohexan-1-amine
CID 79538652
N-[1-(azepan-2-yl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965789
N-(1-methylpyrrolidin-3-yl)-2-piperidin-2-ylacetamide
CID 61465166
tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 107241518
N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79560325
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
2,2,3,3-tetramethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclopropan-1-amine
CID 79539151

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine (CID 79560963) is N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine is CC(CC1CCCCCN1)NC1CCN(C)C1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine?
The InChIKey is CZBHCOBYFQXUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(16-14-7-9-17(2)11-14)10-13-6-4-3-5-8-15-13/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine?
N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 79560963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).