2-(1-aminopropyl)-N,N-dimethylaniline

C11H18N2 — CID 112704132

IUPAC2-(1-aminopropyl)-N,N-dimethylaniline
SMILESCCC(N)c1ccccc1N(C)C
InChIInChI=1S/C11H18N2/c1-4-10(12)9-7-5-6-8-11(9)13(2)3/h5-8,10H,4,12H2,1-3H3
InChIKeyFUIXHJJIMBBWKS-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.16
Rot. Bonds3

About 2-(1-aminopropyl)-N,N-dimethylaniline

2-(1-aminopropyl)-N,N-dimethylaniline (PubChem CID 112704132) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-N,N-dimethylaniline
PubChem CID112704132
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(1-aminopropyl)-N,N-dimethylaniline
SMILESCCC(N)c1ccccc1N(C)C
InChIInChI=1S/C11H18N2/c1-4-10(12)9-7-5-6-8-11(9)13(2)3/h5-8,10H,4,12H2,1-3H3
InChIKeyFUIXHJJIMBBWKS-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N,N-dimethylaniline?
The IUPAC name of 2-(1-aminopropyl)-N,N-dimethylaniline (CID 112704132) is 2-(1-aminopropyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(1-aminopropyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(1-aminopropyl)-N,N-dimethylaniline is CCC(N)c1ccccc1N(C)C.
What is the InChIKey of 2-(1-aminopropyl)-N,N-dimethylaniline?
The InChIKey is FUIXHJJIMBBWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10(12)9-7-5-6-8-11(9)13(2)3/h5-8,10H,4,12H2,1-3H3.
What are the key properties of 2-(1-aminopropyl)-N,N-dimethylaniline?
2-(1-aminopropyl)-N,N-dimethylaniline has a molecular weight of 178.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N,N-dimethylaniline is sourced from PubChem (CID 112704132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).