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

C17H33N — CID 81031296

IUPAC1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1CC1CCCCC1
InChIInChI=1S/C17H33N/c1-17(2)10-9-15(13-18-3)16(12-17)11-14-7-5-4-6-8-14/h14-16,18H,4-13H2,1-3H3
InChIKeyCOECDBHUVQPPLG-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds4

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

1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (PubChem CID 81031296) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
PubChem CID81031296
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1CC1CCCCC1
InChIInChI=1S/C17H33N/c1-17(2)10-9-15(13-18-3)16(12-17)11-14-7-5-4-6-8-14/h14-16,18H,4-13H2,1-3H3
InChIKeyCOECDBHUVQPPLG-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

N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030643
1-[2-(cyclohexylmethyl)cyclopentyl]-N-methylmethanamine
CID 81033803
1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 82935731
1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
CID 81030775
1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700
1-[4,4-dimethyl-2-(3-methylsulfonylpropyl)cyclohexyl]-N-methylmethanamine
CID 81030474
1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735635
1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030934
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039
1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031224
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114247026

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (CID 81031296) is 1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1CC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The InChIKey is COECDBHUVQPPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-17(2)10-9-15(13-18-3)16(12-17)11-14-7-5-4-6-8-14/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine 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-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81031296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).