3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine

C15H20N4 — CID 12040476

IUPAC3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
SMILESNc1cccc(NCCCNc2cccc(N)c2)c1
InChIInChI=1S/C15H20N4/c16-12-4-1-6-14(10-12)18-8-3-9-19-15-7-2-5-13(17)11-15/h1-2,4-7,10-11,18-19H,3,8-9,16-17H2
InChIKeyNIMBMRRCWCXWTE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds6

About 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine

3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine (PubChem CID 12040476) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
PubChem CID12040476
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
SMILESNc1cccc(NCCCNc2cccc(N)c2)c1
InChIInChI=1S/C15H20N4/c16-12-4-1-6-14(10-12)18-8-3-9-19-15-7-2-5-13(17)11-15/h1-2,4-7,10-11,18-19H,3,8-9,16-17H2
InChIKeyNIMBMRRCWCXWTE-UHFFFAOYSA-N
XLogP2.77
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-octadecylbenzene-1,3-diamine
CID 154090035
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 61469743
3-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095
3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
CID 63826208
N,N'-bis(3-phenylphenyl)propane-1,3-diamine
CID 22968041
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine (CID 12040476) is 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine is Nc1cccc(NCCCNc2cccc(N)c2)c1.
What is the InChIKey of 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine?
The InChIKey is NIMBMRRCWCXWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-12-4-1-6-14(10-12)18-8-3-9-19-15-7-2-5-13(17)11-15/h1-2,4-7,10-11,18-19H,3,8-9,16-17H2.
What are the key properties of 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine?
3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine is sourced from PubChem (CID 12040476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).