1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine

C14H23NO — CID 83176155

IUPAC1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
SMILESCC1(C)CCC(C(N)Cc2ccoc2)CC1
InChIInChI=1S/C14H23NO/c1-14(2)6-3-12(4-7-14)13(15)9-11-5-8-16-10-11/h5,8,10,12-13H,3-4,6-7,9,15H2,1-2H3
InChIKeyYKIVTGXHVWUSQI-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine

1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine (PubChem CID 83176155) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
PubChem CID83176155
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
SMILESCC1(C)CCC(C(N)Cc2ccoc2)CC1
InChIInChI=1S/C14H23NO/c1-14(2)6-3-12(4-7-14)13(15)9-11-5-8-16-10-11/h5,8,10,12-13H,3-4,6-7,9,15H2,1-2H3
InChIKeyYKIVTGXHVWUSQI-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)ethanol
CID 83174876
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
CID 83174667
1-(7-bicyclo[4.1.0]heptanyl)-2-(furan-3-yl)ethanamine
CID 105030225
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 83183625
1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 65391804
[1-cyclopropyl-2-(furan-3-yl)ethyl]hydrazine
CID 105202437
tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092663
1-(2,2-dimethylcyclopentyl)-2-(furan-3-yl)ethanol
CID 107192815
2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105030155
2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391214

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine (CID 83176155) is 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine is CC1(C)CCC(C(N)Cc2ccoc2)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine?
The InChIKey is YKIVTGXHVWUSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2)6-3-12(4-7-14)13(15)9-11-5-8-16-10-11/h5,8,10,12-13H,3-4,6-7,9,15H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine?
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine 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-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 83176155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).