1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one

C15H24N2O2 — CID 43401218

IUPAC1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
SMILESCC(NC(C)c1ccco1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-12(14-8-7-11-19-14)16-13(2)15(18)17-9-5-3-4-6-10-17/h7-8,11-13,16H,3-6,9-10H2,1-2H3
InChIKeyCONXCXREIMQFIE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.72
Rot. Bonds4

About 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one

1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one (PubChem CID 43401218) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
PubChem CID43401218
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
SMILESCC(NC(C)c1ccco1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-12(14-8-7-11-19-14)16-13(2)15(18)17-9-5-3-4-6-10-17/h7-8,11-13,16H,3-6,9-10H2,1-2H3
InChIKeyCONXCXREIMQFIE-UHFFFAOYSA-N
XLogP2.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one
CID 8922587
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
CID 43397992
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
(2S)-N-cyclopentyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 93035997
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one (CID 43401218) is 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one is CC(NC(C)c1ccco1)C(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one?
The InChIKey is CONXCXREIMQFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(14-8-7-11-19-14)16-13(2)15(18)17-9-5-3-4-6-10-17/h7-8,11-13,16H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one?
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one is sourced from PubChem (CID 43401218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).