1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C17H33N — CID 64774419

IUPAC1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCCC1CCC(C(NC)C2CCCC(C)C2)CC1
InChIInChI=1S/C17H33N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h13-18H,4-12H2,1-3H3
InChIKeyVAHOIVCSENYHNL-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 64774419) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID64774419
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCCC1CCC(C(NC)C2CCCC(C)C2)CC1
InChIInChI=1S/C17H33N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h13-18H,4-12H2,1-3H3
InChIKeyVAHOIVCSENYHNL-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413158
1-(3-ethylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65394157
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65390833
1-(4-ethylcyclohexyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 104990951
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 104991901
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 65422358
1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 64986980
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 107004571
N-methyl-1-(4-methylcyclohexyl)-1-(4-propylcyclohexyl)methanamine
CID 65423190
1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105155375

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 64774419) is 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CCC1CCC(C(NC)C2CCCC(C)C2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is VAHOIVCSENYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h13-18H,4-12H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 64774419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).