2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine

C16H28N2O — CID 79050582

IUPAC2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
SMILESCCNC(c1ccco1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H28N2O/c1-4-17-15(14-10-9-13-19-14)16(2,3)18-11-7-5-6-8-12-18/h9-10,13,15,17H,4-8,11-12H2,1-3H3
InChIKeyCFIOPIHWXYZIRK-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.58
Rot. Bonds5

About 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine

2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine (PubChem CID 79050582) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
PubChem CID79050582
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
SMILESCCNC(c1ccco1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H28N2O/c1-4-17-15(14-10-9-13-19-14)16(2,3)18-11-7-5-6-8-12-18/h9-10,13,15,17H,4-8,11-12H2,1-3H3
InChIKeyCFIOPIHWXYZIRK-UHFFFAOYSA-N
XLogP3.58
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine (CID 79050582) is 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine is CCNC(c1ccco1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine?
The InChIKey is CFIOPIHWXYZIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-17-15(14-10-9-13-19-14)16(2,3)18-11-7-5-6-8-12-18/h9-10,13,15,17H,4-8,11-12H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine?
2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 79050582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).