1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine

C15H25NO — CID 83174667

IUPAC1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H25NO/c1-15(2)7-4-13(5-8-15)14(16-3)10-12-6-9-17-11-12/h6,9,11,13-14,16H,4-5,7-8,10H2,1-3H3
InChIKeyNIOKGSJNRBGJDV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.63
Rot. Bonds4

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

1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 83174667) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID83174667
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H25NO/c1-15(2)7-4-13(5-8-15)14(16-3)10-12-6-9-17-11-12/h6,9,11,13-14,16H,4-5,7-8,10H2,1-3H3
InChIKeyNIOKGSJNRBGJDV-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(furan-3-yl)-N-methylethanamine
CID 83175338
2-(furan-3-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 83175553
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83176155
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
CID 83174876
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105030037
2-(furan-3-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105030244
[1-cyclopropyl-2-(furan-3-yl)ethyl]hydrazine
CID 105202437
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65391425
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine
CID 115774680
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175651

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine (CID 83174667) is 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is NIOKGSJNRBGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2)7-4-13(5-8-15)14(16-3)10-12-6-9-17-11-12/h6,9,11,13-14,16H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine?
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.63, 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)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 83174667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).