2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine

C14H24N2O — CID 22692497

IUPAC2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNCC(c1ccco1)N1CCCCCC1
InChIInChI=1S/C14H24N2O/c1-2-15-12-13(14-8-7-11-17-14)16-9-5-3-4-6-10-16/h7-8,11,13,15H,2-6,9-10,12H2,1H3
InChIKeyOKROJWOQZQJJFD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.81
Rot. Bonds5

About 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine

2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine (PubChem CID 22692497) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
PubChem CID22692497
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNCC(c1ccco1)N1CCCCCC1
InChIInChI=1S/C14H24N2O/c1-2-15-12-13(14-8-7-11-17-14)16-9-5-3-4-6-10-16/h7-8,11,13,15H,2-6,9-10,12H2,1H3
InChIKeyOKROJWOQZQJJFD-UHFFFAOYSA-N
XLogP2.81
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
2-ethyl-2-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]butan-1-ol
CID 81399970
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
(1S)-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-phenylethanol
CID 2106497
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentan-2-amine
CID 43202553
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
N-[(4-ethoxyphenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 78805253

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine (CID 22692497) is 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine is CCNCC(c1ccco1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine?
The InChIKey is OKROJWOQZQJJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-15-12-13(14-8-7-11-17-14)16-9-5-3-4-6-10-16/h7-8,11,13,15H,2-6,9-10,12H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine?
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.81, 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-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 22692497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).