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

C11H17NO — CID 81013473

IUPAC2-(furan-3-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2ccoc2)C1
InChIInChI=1S/C11H17NO/c1-8-2-3-11(12)10(6-8)9-4-5-13-7-9/h4-5,7-8,10-11H,2-3,6,12H2,1H3
InChIKeyNOUAESUIMSMRTQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.51
Rot. Bonds1

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

2-(furan-3-yl)-4-methylcyclohexan-1-amine (PubChem CID 81013473) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-4-methylcyclohexan-1-amine
PubChem CID81013473
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(furan-3-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2ccoc2)C1
InChIInChI=1S/C11H17NO/c1-8-2-3-11(12)10(6-8)9-4-5-13-7-9/h4-5,7-8,10-11H,2-3,6,12H2,1H3
InChIKeyNOUAESUIMSMRTQ-UHFFFAOYSA-N
XLogP2.51
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(furan-3-yl)-4-methylcyclohexan-1-amine (CID 81013473) is 2-(furan-3-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(furan-3-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(furan-3-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(c2ccoc2)C1.
What is the InChIKey of 2-(furan-3-yl)-4-methylcyclohexan-1-amine?
The InChIKey is NOUAESUIMSMRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-2-3-11(12)10(6-8)9-4-5-13-7-9/h4-5,7-8,10-11H,2-3,6,12H2,1H3.
What are the key properties of 2-(furan-3-yl)-4-methylcyclohexan-1-amine?
2-(furan-3-yl)-4-methylcyclohexan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 81013473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).