1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine

C17H33N — CID 81028956

IUPAC1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1C1CCCCC1
InChIInChI=1S/C17H33N/c1-13(2)15-9-10-16(12-18-3)17(11-15)14-7-5-4-6-8-14/h13-18H,4-12H2,1-3H3
InChIKeyOZPZWKGEWVFIIR-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.47
Rot. Bonds4

About 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine

1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine (PubChem CID 81028956) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
PubChem CID81028956
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1C1CCCCC1
InChIInChI=1S/C17H33N/c1-13(2)15-9-10-16(12-18-3)17(11-15)14-7-5-4-6-8-14/h13-18H,4-12H2,1-3H3
InChIKeyOZPZWKGEWVFIIR-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclohexylcyclobutyl)-N-methylmethanamine
CID 81017372
1-(2-cyclohexylcycloheptyl)-N-methylmethanamine
CID 81025955
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81031196
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 82935222
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 107138156
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026255
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine (CID 81028956) is 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine is CNCC1CCC(C(C)C)CC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine?
The InChIKey is OZPZWKGEWVFIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13(2)15-9-10-16(12-18-3)17(11-15)14-7-5-4-6-8-14/h13-18H,4-12H2,1-3H3.
What are the key properties of 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine?
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine has a molecular weight of 251.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 81028956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).