4-(3-aminopropyl)benzene-1,2-diamine

C9H15N3 — CID 82502911

IUPAC4-(3-aminopropyl)benzene-1,2-diamine
SMILESNCCCc1ccc(N)c(N)c1
InChIInChI=1S/C9H15N3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6H,1-2,5,10-12H2
InChIKeyCUKLVMYKNVTNCL-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.74
Rot. Bonds3

About 4-(3-aminopropyl)benzene-1,2-diamine

4-(3-aminopropyl)benzene-1,2-diamine (PubChem CID 82502911) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(3-aminopropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(3-aminopropyl)benzene-1,2-diamine
PubChem CID82502911
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(3-aminopropyl)benzene-1,2-diamine
SMILESNCCCc1ccc(N)c(N)c1
InChIInChI=1S/C9H15N3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6H,1-2,5,10-12H2
InChIKeyCUKLVMYKNVTNCL-UHFFFAOYSA-N
XLogP0.74
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.74
H-Bond Donors ≤ 53
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-(3-aminopropyl)benzene-1,2-diamine?
The IUPAC name of 4-(3-aminopropyl)benzene-1,2-diamine (CID 82502911) is 4-(3-aminopropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(3-aminopropyl)benzene-1,2-diamine?
The canonical SMILES for 4-(3-aminopropyl)benzene-1,2-diamine is NCCCc1ccc(N)c(N)c1.
What is the InChIKey of 4-(3-aminopropyl)benzene-1,2-diamine?
The InChIKey is CUKLVMYKNVTNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6H,1-2,5,10-12H2.
What are the key properties of 4-(3-aminopropyl)benzene-1,2-diamine?
4-(3-aminopropyl)benzene-1,2-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)benzene-1,2-diamine is sourced from PubChem (CID 82502911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).