N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine

C13H25N — CID 70257222

IUPACN-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H25N/c1-10(2)14-9-12-6-11(3)7-13(4,5)8-12/h11-12,14H,1,6-9H2,2-5H3
InChIKeyQXXJIJHIIBVJPP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.57
Rot. Bonds3

About N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine

N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine (PubChem CID 70257222) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine
PubChem CID70257222
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H25N/c1-10(2)14-9-12-6-11(3)7-13(4,5)8-12/h11-12,14H,1,6-9H2,2-5H3
InChIKeyQXXJIJHIIBVJPP-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine?
The IUPAC name of N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine (CID 70257222) is N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine?
The canonical SMILES for N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine is C=C(C)NCC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine?
The InChIKey is QXXJIJHIIBVJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)14-9-12-6-11(3)7-13(4,5)8-12/h11-12,14H,1,6-9H2,2-5H3.
What are the key properties of N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine?
N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine is sourced from PubChem (CID 70257222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).