1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine

C18H35N — CID 81031403

IUPAC1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(C2CCC(C)C(C)C2)C1
InChIInChI=1S/C18H35N/c1-5-15-7-9-17(12-19-4)18(11-15)16-8-6-13(2)14(3)10-16/h13-19H,5-12H2,1-4H3
InChIKeyFLCWSMKVCMSFIY-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.72
Rot. Bonds4

About 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine

1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine (PubChem CID 81031403) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
PubChem CID81031403
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(C2CCC(C)C(C)C2)C1
InChIInChI=1S/C18H35N/c1-5-15-7-9-17(12-19-4)18(11-15)16-8-6-13(2)14(3)10-16/h13-19H,5-12H2,1-4H3
InChIKeyFLCWSMKVCMSFIY-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81032472
1-[2-(3,4-dimethylcyclohexyl)cyclobutyl]-N-methylmethanamine
CID 81017273
1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745
N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine
CID 81017704
1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
CID 82934632
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
CID 81029060
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026255
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850
1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700
N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
CID 64740887
N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81029514

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine (CID 81031403) is 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(C2CCC(C)C(C)C2)C1.
What is the InChIKey of 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The InChIKey is FLCWSMKVCMSFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-15-7-9-17(12-19-4)18(11-15)16-8-6-13(2)14(3)10-16/h13-19H,5-12H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine?
1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine has a molecular weight of 265.48 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81031403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).