3-(1-aminocyclobutyl)-N,N-dimethylaniline

C12H18N2 — CID 82603640

IUPAC3-(1-aminocyclobutyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2(N)CCC2)c1
InChIInChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12(13)7-4-8-12/h3,5-6,9H,4,7-8,13H2,1-2H3
InChIKeyLPWIIICITJMQHK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.09
Rot. Bonds2

About 3-(1-aminocyclobutyl)-N,N-dimethylaniline

3-(1-aminocyclobutyl)-N,N-dimethylaniline (PubChem CID 82603640) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(1-aminocyclobutyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(1-aminocyclobutyl)-N,N-dimethylaniline
PubChem CID82603640
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-(1-aminocyclobutyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2(N)CCC2)c1
InChIInChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12(13)7-4-8-12/h3,5-6,9H,4,7-8,13H2,1-2H3
InChIKeyLPWIIICITJMQHK-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-aminocyclobutyl)-N,N-dimethylaniline 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 3-(1-aminocyclobutyl)-N,N-dimethylaniline?
The IUPAC name of 3-(1-aminocyclobutyl)-N,N-dimethylaniline (CID 82603640) is 3-(1-aminocyclobutyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(1-aminocyclobutyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(1-aminocyclobutyl)-N,N-dimethylaniline is CN(C)c1cccc(C2(N)CCC2)c1.
What is the InChIKey of 3-(1-aminocyclobutyl)-N,N-dimethylaniline?
The InChIKey is LPWIIICITJMQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12(13)7-4-8-12/h3,5-6,9H,4,7-8,13H2,1-2H3.
What are the key properties of 3-(1-aminocyclobutyl)-N,N-dimethylaniline?
3-(1-aminocyclobutyl)-N,N-dimethylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclobutyl)-N,N-dimethylaniline is sourced from PubChem (CID 82603640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).