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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Related Compounds

4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]benzene-1,2-diamine
CID 10642093
N-(2-naphthalen-2-ylethyl)-N-propylpropan-1-amine
CID 11230589
4-[2-[2-(3-methylphenyl)ethyl-propylamino]ethyl]-2-nitroaniline
CID 10831111
5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide
CID 14901828
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
4-[2-[pentyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672369
4-[2-[ethyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672365
4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine
CID 163415756
5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline
CID 82256179
N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
CID 66742904
4-(3-aminopropyl)benzene-1,2-diamine
CID 82502911
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098

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).