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

C11H18N2 — CID 3043612

IUPAC4-(2-aminopropyl)-N,N-dimethylaniline
SMILESCC(N)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2/c1-9(12)8-10-4-6-11(7-5-10)13(2)3/h4-7,9H,8,12H2,1-3H3
InChIKeyRWZBJXQDQJZOLY-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.64
Rot. Bonds3

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

4-(2-aminopropyl)-N,N-dimethylaniline (PubChem CID 3043612) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,N-dimethylaniline
PubChem CID3043612
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(2-aminopropyl)-N,N-dimethylaniline
SMILESCC(N)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2/c1-9(12)8-10-4-6-11(7-5-10)13(2)3/h4-7,9H,8,12H2,1-3H3
InChIKeyRWZBJXQDQJZOLY-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N,N-dimethylaniline (CID 3043612) is 4-(2-aminopropyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N,N-dimethylaniline is CC(N)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 4-(2-aminopropyl)-N,N-dimethylaniline?
The InChIKey is RWZBJXQDQJZOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(12)8-10-4-6-11(7-5-10)13(2)3/h4-7,9H,8,12H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N,N-dimethylaniline?
4-(2-aminopropyl)-N,N-dimethylaniline has a molecular weight of 178.28 g/mol, XLogP of 1.64, 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 is sourced from PubChem (CID 3043612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).