1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine

C17H33N — CID 82935731

IUPAC1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1C1CCCCCC1
InChIInChI=1S/C17H33N/c1-17(2)11-10-15(13-18-3)16(12-17)14-8-6-4-5-7-9-14/h14-16,18H,4-13H2,1-3H3
InChIKeyLHBPVSYHBJRQCC-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds3

About 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine

1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 82935731) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID82935731
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1C1CCCCCC1
InChIInChI=1S/C17H33N/c1-17(2)11-10-15(13-18-3)16(12-17)14-8-6-4-5-7-9-14/h14-16,18H,4-13H2,1-3H3
InChIKeyLHBPVSYHBJRQCC-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507
N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
CID 81031172
1-(2-cyclohexylcycloheptyl)-N-methylmethanamine
CID 81025955
1-(2-cyclohexylcyclobutyl)-N-methylmethanamine
CID 81017372
1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031296
1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114247026
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
CID 81030775
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 81028956
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807
1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
CID 81030626

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine (CID 82935731) is 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine is CNCC1CCC(C)(C)CC1C1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is LHBPVSYHBJRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-17(2)11-10-15(13-18-3)16(12-17)14-8-6-4-5-7-9-14/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine?
1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 82935731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).