1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine

C14H23NO — CID 115774680

IUPAC1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine
SMILESCC1(C)CCC(CNCc2ccoc2)CC1
InChIInChI=1S/C14H23NO/c1-14(2)6-3-12(4-7-14)9-15-10-13-5-8-16-11-13/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3
InChIKeyCKLBKCWBKWKWBZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.59
Rot. Bonds4

About 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine

1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine (PubChem CID 115774680) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine
PubChem CID115774680
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine
SMILESCC1(C)CCC(CNCc2ccoc2)CC1
InChIInChI=1S/C14H23NO/c1-14(2)6-3-12(4-7-14)9-15-10-13-5-8-16-11-13/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3
InChIKeyCKLBKCWBKWKWBZ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 63001258
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
CID 83174876
N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818
2-(furan-3-ylmethylamino)-1-methylcyclopentan-1-ol
CID 130532274
N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 115626065
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
CID 83174667
ethyl 4-[(furan-3-ylmethylamino)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499854
1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
CID 115608900
1-(furan-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 115735952
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83176155

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine (CID 115774680) is 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine is CC1(C)CCC(CNCc2ccoc2)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine?
The InChIKey is CKLBKCWBKWKWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2)6-3-12(4-7-14)9-15-10-13-5-8-16-11-13/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine?
1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine is sourced from PubChem (CID 115774680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).