1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

C14H23NO — CID 83183625

IUPAC1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(Cc2ccoc2)CC1
InChIInChI=1S/C14H23NO/c1-11(2)13-3-6-14(15,7-4-13)9-12-5-8-16-10-12/h5,8,10-11,13H,3-4,6-7,9,15H2,1-2H3
InChIKeyBLGVUHBCPCDQTE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds3

About 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 83183625) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID83183625
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(Cc2ccoc2)CC1
InChIInChI=1S/C14H23NO/c1-11(2)13-3-6-14(15,7-4-13)9-12-5-8-16-10-12/h5,8,10-11,13H,3-4,6-7,9,15H2,1-2H3
InChIKeyBLGVUHBCPCDQTE-UHFFFAOYSA-N
XLogP3.37
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83176155
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
CID 83174876
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
N-[1-[1-(furan-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798082
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
CID 83174667
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451
2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 83182913
1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
CID 127001213
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
(1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol
CID 162845070
[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine
CID 83182822
1-(2-ethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 82920282

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (CID 83183625) is 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(Cc2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BLGVUHBCPCDQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-3-6-14(15,7-4-13)9-12-5-8-16-10-12/h5,8,10-11,13H,3-4,6-7,9,15H2,1-2H3.
What are the key properties of 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 83183625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).