1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C14H27N — CID 107004571

IUPAC1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(C1CCCC(C)C1)C1CC1(C)C
InChIInChI=1S/C14H27N/c1-10-6-5-7-11(8-10)13(15-4)12-9-14(12,2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyBAIRYYAWXUKICO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.45
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 107004571) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID107004571
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(C1CCCC(C)C1)C1CC1(C)C
InChIInChI=1S/C14H27N/c1-10-6-5-7-11(8-10)13(15-4)12-9-14(12,2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyBAIRYYAWXUKICO-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-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 107004571) is 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CNC(C1CCCC(C)C1)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is BAIRYYAWXUKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10-6-5-7-11(8-10)13(15-4)12-9-14(12,2)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine 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-(2,2-dimethylcyclopropyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 107004571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).