4-[2-(dipropylamino)ethyl]benzene-1,2-diamine

C14H25N3 — CID 10014310

IUPAC4-[2-(dipropylamino)ethyl]benzene-1,2-diamine
SMILESCCCN(CCC)CCc1ccc(N)c(N)c1
InChIInChI=1S/C14H25N3/c1-3-8-17(9-4-2)10-7-12-5-6-13(15)14(16)11-12/h5-6,11H,3-4,7-10,15-16H2,1-2H3
InChIKeyNGBDYYAHSBSFDA-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.52
Rot. Bonds7

About 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine

4-[2-(dipropylamino)ethyl]benzene-1,2-diamine (PubChem CID 10014310) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-(dipropylamino)ethyl]benzene-1,2-diamine
PubChem CID10014310
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name4-[2-(dipropylamino)ethyl]benzene-1,2-diamine
SMILESCCCN(CCC)CCc1ccc(N)c(N)c1
InChIInChI=1S/C14H25N3/c1-3-8-17(9-4-2)10-7-12-5-6-13(15)14(16)11-12/h5-6,11H,3-4,7-10,15-16H2,1-2H3
InChIKeyNGBDYYAHSBSFDA-UHFFFAOYSA-N
XLogP2.52
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine (CID 10014310) is 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine is CCCN(CCC)CCc1ccc(N)c(N)c1.
What is the InChIKey of 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine?
The InChIKey is NGBDYYAHSBSFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-8-17(9-4-2)10-7-12-5-6-13(15)14(16)11-12/h5-6,11H,3-4,7-10,15-16H2,1-2H3.
What are the key properties of 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine?
4-[2-(dipropylamino)ethyl]benzene-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dipropylamino)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 10014310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).