1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine

C14H27N — CID 64986980

IUPAC1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(C1CCC1)C1CCC(C)C(C)C1
InChIInChI=1S/C14H27N/c1-10-7-8-13(9-11(10)2)14(15-3)12-5-4-6-12/h10-15H,4-9H2,1-3H3
InChIKeyLYSFWMQCEGYIMK-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.45
Rot. Bonds3

About 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine

1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 64986980) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID64986980
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(C1CCC1)C1CCC(C)C(C)C1
InChIInChI=1S/C14H27N/c1-10-7-8-13(9-11(10)2)14(15-3)12-5-4-6-12/h10-15H,4-9H2,1-3H3
InChIKeyLYSFWMQCEGYIMK-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine (CID 64986980) is 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine is CNC(C1CCC1)C1CCC(C)C(C)C1.
What is the InChIKey of 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is LYSFWMQCEGYIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10-7-8-13(9-11(10)2)14(15-3)12-5-4-6-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 209.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 64986980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).