4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride

C11H20Cl2N2 — CID 3043611

IUPAC4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride
SMILESCC(N)Cc1ccc(N(C)C)cc1.Cl.Cl
InChIInChI=1S/C11H18N2.2ClH/c1-9(12)8-10-4-6-11(7-5-10)13(2)3;;/h4-7,9H,8,12H2,1-3H3;2*1H
InChIKeyNWQNCALMMPMUFF-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.49
Rot. Bonds3

About 4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride

4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride (PubChem CID 3043611) has the molecular formula C11H20Cl2N2 and a molecular weight of 251.20 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride
PubChem CID3043611
Molecular FormulaC11H20Cl2N2
Molecular Weight251.20 g/mol
Exact Mass250.10
IUPAC Name4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride
SMILESCC(N)Cc1ccc(N(C)C)cc1.Cl.Cl
InChIInChI=1S/C11H18N2.2ClH/c1-9(12)8-10-4-6-11(7-5-10)13(2)3;;/h4-7,9H,8,12H2,1-3H3;2*1H
InChIKeyNWQNCALMMPMUFF-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.49
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-dimethylaniline;dihydrochloride 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-dimethylaniline;dihydrochloride?
The IUPAC name of 4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride (CID 3043611) is 4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride is CC(N)Cc1ccc(N(C)C)cc1.Cl.Cl.
What is the InChIKey of 4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride?
The InChIKey is NWQNCALMMPMUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.2ClH/c1-9(12)8-10-4-6-11(7-5-10)13(2)3;;/h4-7,9H,8,12H2,1-3H3;2*1H.
What are the key properties of 4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride?
4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride has a molecular weight of 251.20 g/mol, XLogP of 2.49, 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-dimethylaniline;dihydrochloride is sourced from PubChem (CID 3043611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).