N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine

C13H22N2O — CID 65070258

IUPACN-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
SMILESCC(NC1CCCN(C)CC1)c1ccco1
InChIInChI=1S/C13H22N2O/c1-11(13-6-4-10-16-13)14-12-5-3-8-15(2)9-7-12/h4,6,10-12,14H,3,5,7-9H2,1-2H3
InChIKeyDVSLUYCXGXPBCF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.41
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine

N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine (PubChem CID 65070258) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
PubChem CID65070258
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
SMILESCC(NC1CCCN(C)CC1)c1ccco1
InChIInChI=1S/C13H22N2O/c1-11(13-6-4-10-16-13)14-12-5-3-8-15(2)9-7-12/h4,6,10-12,14H,3,5,7-9H2,1-2H3
InChIKeyDVSLUYCXGXPBCF-UHFFFAOYSA-N
XLogP2.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
CID 103982613
4-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261936
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine
CID 65070997
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81403840
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine (CID 65070258) is N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine is CC(NC1CCCN(C)CC1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine?
The InChIKey is DVSLUYCXGXPBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(13-6-4-10-16-13)14-12-5-3-8-15(2)9-7-12/h4,6,10-12,14H,3,5,7-9H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine?
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine has a molecular weight of 222.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).