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

C13H25N — CID 115751638

IUPAC3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NC2CC(C)C2)C1
InChIInChI=1S/C13H25N/c1-9-4-10(2)6-12(5-9)14-13-7-11(3)8-13/h9-14H,4-8H2,1-3H3
InChIKeyAITMYUQRPLDECI-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds2

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

3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine (PubChem CID 115751638) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
PubChem CID115751638
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NC2CC(C)C2)C1
InChIInChI=1S/C13H25N/c1-9-4-10(2)6-12(5-9)14-13-7-11(3)8-13/h9-14H,4-8H2,1-3H3
InChIKeyAITMYUQRPLDECI-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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-(3-methylcyclobutyl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine (CID 115751638) is 3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine is CC1CC(C)CC(NC2CC(C)C2)C1.
What is the InChIKey of 3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine?
The InChIKey is AITMYUQRPLDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9-4-10(2)6-12(5-9)14-13-7-11(3)8-13/h9-14H,4-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine?
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 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-(3-methylcyclobutyl)cyclohexan-1-amine is sourced from PubChem (CID 115751638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).