1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine

C15H26N2O — CID 79560545

IUPAC1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NC(C)c1ccco1
InChIInChI=1S/C15H26N2O/c1-12(11-14-7-4-3-5-9-16-14)17-13(2)15-8-6-10-18-15/h6,8,10,12-14,16-17H,3-5,7,9,11H2,1-2H3
InChIKeyBVIKWPICOPZMDV-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.24
Rot. Bonds5

About 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine

1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine (PubChem CID 79560545) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
PubChem CID79560545
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NC(C)c1ccco1
InChIInChI=1S/C15H26N2O/c1-12(11-14-7-4-3-5-9-16-14)17-13(2)15-8-6-10-18-15/h6,8,10,12-14,16-17H,3-5,7,9,11H2,1-2H3
InChIKeyBVIKWPICOPZMDV-UHFFFAOYSA-N
XLogP3.24
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine
CID 79559973
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 79540841
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
1-piperidin-2-yl-N-[(1S)-1-pyridin-2-ylethyl]propan-2-amine
CID 81402179
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 81400921

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine (CID 79560545) is 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine is CC(CC1CCCCCN1)NC(C)c1ccco1.
What is the InChIKey of 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine?
The InChIKey is BVIKWPICOPZMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(11-14-7-4-3-5-9-16-14)17-13(2)15-8-6-10-18-15/h6,8,10,12-14,16-17H,3-5,7,9,11H2,1-2H3.
What are the key properties of 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine?
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79560545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).