2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine

C12H19NO — CID 83172878

IUPAC2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(Cc2ccoc2)C1
InChIInChI=1S/C12H19NO/c1-9-2-3-12(13)11(6-9)7-10-4-5-14-8-10/h4-5,8-9,11-12H,2-3,6-7,13H2,1H3
InChIKeyXBORUGBDPWWWAA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.59
Rot. Bonds2

About 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine

2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine (PubChem CID 83172878) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine
PubChem CID83172878
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(Cc2ccoc2)C1
InChIInChI=1S/C12H19NO/c1-9-2-3-12(13)11(6-9)7-10-4-5-14-8-10/h4-5,8-9,11-12H,2-3,6-7,13H2,1H3
InChIKeyXBORUGBDPWWWAA-UHFFFAOYSA-N
XLogP2.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-ylmethyl)cyclopentan-1-amine
CID 83173123
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine
CID 61421776
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
CID 83183283
2-(furan-3-ylmethyl)-N-methylcyclopentan-1-amine
CID 83173124
2-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 83172756
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604
N-(furan-3-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64722368
2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62616432
8-[3-(furan-3-yl)propyl]-3-methyl-8-azabicyclo[3.2.1]octane
CID 142051995
4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 62807618
3-(furan-3-ylmethyl)-N-propyloxan-4-amine
CID 106469611

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine (CID 83172878) is 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(Cc2ccoc2)C1.
What is the InChIKey of 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine?
The InChIKey is XBORUGBDPWWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-2-3-12(13)11(6-9)7-10-4-5-14-8-10/h4-5,8-9,11-12H,2-3,6-7,13H2,1H3.
What are the key properties of 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine?
2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 83172878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).