4-(2-aminopropyl)-N,N,3-trimethylaniline

C12H20N2 — CID 3043606

IUPAC4-(2-aminopropyl)-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1CC(C)N
InChIInChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3
InChIKeyHFQMYSHATTXRTC-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.95
Rot. Bonds3

About 4-(2-aminopropyl)-N,N,3-trimethylaniline

4-(2-aminopropyl)-N,N,3-trimethylaniline (PubChem CID 3043606) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,N,3-trimethylaniline
PubChem CID3043606
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(2-aminopropyl)-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1CC(C)N
InChIInChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3
InChIKeyHFQMYSHATTXRTC-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(2-aminopropyl)-N,N,3-trimethylaniline 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 4-(2-aminopropyl)-N,N,3-trimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N,N,3-trimethylaniline (CID 3043606) is 4-(2-aminopropyl)-N,N,3-trimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N,N,3-trimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N,N,3-trimethylaniline is Cc1cc(N(C)C)ccc1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N,N,3-trimethylaniline?
The InChIKey is HFQMYSHATTXRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N,N,3-trimethylaniline?
4-(2-aminopropyl)-N,N,3-trimethylaniline has a molecular weight of 192.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,N,3-trimethylaniline is sourced from PubChem (CID 3043606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).