1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine

C17H31N — CID 114247026

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1C1CC2CCC1C2
InChIInChI=1S/C17H31N/c1-17(2)7-6-14(11-18-3)16(10-17)15-9-12-4-5-13(15)8-12/h12-16,18H,4-11H2,1-3H3
InChIKeyDORKSPKEQUNUIZ-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.08
Rot. Bonds3

About 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine

1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (PubChem CID 114247026) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
PubChem CID114247026
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1C1CC2CCC1C2
InChIInChI=1S/C17H31N/c1-17(2)7-6-14(11-18-3)16(10-17)15-9-12-4-5-13(15)8-12/h12-16,18H,4-11H2,1-3H3
InChIKeyDORKSPKEQUNUIZ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine with MolForge

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Related Compounds

1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 82935731
N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
CID 81031172
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutyl]-N-methylmethanamine
CID 81017377
1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
CID 81030775
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507
1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031296
[2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine
CID 81012713
1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735635
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
1-[2-(3,4-dimethylcyclohexyl)cyclobutyl]-N-methylmethanamine
CID 81017273
1-[4,4-dimethyl-2-(3-methylsulfonylpropyl)cyclohexyl]-N-methylmethanamine
CID 81030474
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (CID 114247026) is 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1C1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The InChIKey is DORKSPKEQUNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-17(2)7-6-14(11-18-3)16(10-17)15-9-12-4-5-13(15)8-12/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine has a molecular weight of 249.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114247026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).