1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine

C14H23NO — CID 115712271

IUPAC1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCCC(CNC(C)c2ccoc2)C1
InChIInChI=1S/C14H23NO/c1-11-4-3-5-13(8-11)9-15-12(2)14-6-7-16-10-14/h6-7,10-13,15H,3-5,8-9H2,1-2H3
InChIKeyVPCRXTCHZHEKAT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.76
Rot. Bonds4

About 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine

1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 115712271) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
PubChem CID115712271
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCCC(CNC(C)c2ccoc2)C1
InChIInChI=1S/C14H23NO/c1-11-4-3-5-13(8-11)9-15-12(2)14-6-7-16-10-14/h6-7,10-13,15H,3-5,8-9H2,1-2H3
InChIKeyVPCRXTCHZHEKAT-UHFFFAOYSA-N
XLogP3.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492
N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 115713244
N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103884007
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
2-[4-[1-[(3-methylcyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103883947
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778774
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411910
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412072
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 115710253

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine (CID 115712271) is 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine is CC1CCCC(CNC(C)c2ccoc2)C1.
What is the InChIKey of 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is VPCRXTCHZHEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-4-3-5-13(8-11)9-15-12(2)14-6-7-16-10-14/h6-7,10-13,15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 115712271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).