1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

C19H37N — CID 65423221

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(C1CCC(C(C)C)CC1)C1CC(C)CC(C)C1
InChIInChI=1S/C19H37N/c1-13(2)16-6-8-17(9-7-16)19(20-5)18-11-14(3)10-15(4)12-18/h13-20H,6-12H2,1-5H3
InChIKeyNABYPGMCTBXVNS-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.11
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 65423221) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID65423221
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(C1CCC(C(C)C)CC1)C1CC(C)CC(C)C1
InChIInChI=1S/C19H37N/c1-13(2)16-6-8-17(9-7-16)19(20-5)18-11-14(3)10-15(4)12-18/h13-20H,6-12H2,1-5H3
InChIKeyNABYPGMCTBXVNS-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423231
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330300
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413158
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
N-methyl-1-(3-methylcyclobutyl)ethanamine
CID 103565343
1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
CID 65399883
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 64774419
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65390833
4-[cyclopropyl(methylamino)methyl]cyclohexan-1-amine
CID 142323117
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 64986980

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (CID 65423221) is 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is CNC(C1CCC(C(C)C)CC1)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is NABYPGMCTBXVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-13(2)16-6-8-17(9-7-16)19(20-5)18-11-14(3)10-15(4)12-18/h13-20H,6-12H2,1-5H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 279.51 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 65423221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).