N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine

C13H19N — CID 83697614

IUPACN,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine
SMILESCNC1(c2cccc(C)c2)CC1(C)C
InChIInChI=1S/C13H19N/c1-10-6-5-7-11(8-10)13(14-4)9-12(13,2)3/h5-8,14H,9H2,1-4H3
InChIKeyGWFYHLPQXJVNJE-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.84
Rot. Bonds2

About N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine

N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine (PubChem CID 83697614) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine
PubChem CID83697614
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine
SMILESCNC1(c2cccc(C)c2)CC1(C)C
InChIInChI=1S/C13H19N/c1-10-6-5-7-11(8-10)13(14-4)9-12(13,2)3/h5-8,14H,9H2,1-4H3
InChIKeyGWFYHLPQXJVNJE-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-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,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine (CID 83697614) is N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine is CNC1(c2cccc(C)c2)CC1(C)C.
What is the InChIKey of N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine?
The InChIKey is GWFYHLPQXJVNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-6-5-7-11(8-10)13(14-4)9-12(13,2)3/h5-8,14H,9H2,1-4H3.
What are the key properties of N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine?
N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(3-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 83697614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).