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

C17H30N2O — CID 79559973

IUPAC1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)CC2CCCCCN2)c(C)o1
InChIInChI=1S/C17H30N2O/c1-12(10-16-8-6-5-7-9-18-16)19-14(3)17-11-13(2)20-15(17)4/h11-12,14,16,18-19H,5-10H2,1-4H3
InChIKeyQWZZZQACHRLICP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.86
Rot. Bonds5

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

1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine (PubChem CID 79559973) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine
PubChem CID79559973
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)CC2CCCCCN2)c(C)o1
InChIInChI=1S/C17H30N2O/c1-12(10-16-8-6-5-7-9-18-16)19-14(3)17-11-13(2)20-15(17)4/h11-12,14,16,18-19H,5-10H2,1-4H3
InChIKeyQWZZZQACHRLICP-UHFFFAOYSA-N
XLogP3.86
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
CID 79560545
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine
CID 79559984
N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541870
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
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine (CID 79559973) is 1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine is Cc1cc(C(C)NC(C)CC2CCCCCN2)c(C)o1.
What is the InChIKey of 1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine?
The InChIKey is QWZZZQACHRLICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(10-16-8-6-5-7-9-18-16)19-14(3)17-11-13(2)20-15(17)4/h11-12,14,16,18-19H,5-10H2,1-4H3.
What are the key properties of 1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine?
1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.86, 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-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79559973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).