3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine

C13H25N — CID 115924429

IUPAC3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NC2(C)CCC2)C1
InChIInChI=1S/C13H25N/c1-10-7-11(2)9-12(8-10)14-13(3)5-4-6-13/h10-12,14H,4-9H2,1-3H3
InChIKeyKZMUPGXZPRFMSW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds2

About 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine

3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine (PubChem CID 115924429) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine
PubChem CID115924429
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NC2(C)CCC2)C1
InChIInChI=1S/C13H25N/c1-10-7-11(2)9-12(8-10)14-13(3)5-4-6-13/h10-12,14H,4-9H2,1-3H3
InChIKeyKZMUPGXZPRFMSW-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine (CID 115924429) is 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine is CC1CC(C)CC(NC2(C)CCC2)C1.
What is the InChIKey of 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine?
The InChIKey is KZMUPGXZPRFMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10-7-11(2)9-12(8-10)14-13(3)5-4-6-13/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine?
3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine is sourced from PubChem (CID 115924429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).