3-N-(5-phenylpentyl)benzene-1,3-diamine

C17H22N2 — CID 59708329

IUPAC3-N-(5-phenylpentyl)benzene-1,3-diamine
SMILESNc1cccc(NCCCCCc2ccccc2)c1
InChIInChI=1S/C17H22N2/c18-16-11-7-12-17(14-16)19-13-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,11-12,14,19H,2,5-6,10,13,18H2
InChIKeyWCXOAJZCNNERCD-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.09
Rot. Bonds7

About 3-N-(5-phenylpentyl)benzene-1,3-diamine

3-N-(5-phenylpentyl)benzene-1,3-diamine (PubChem CID 59708329) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-N-(5-phenylpentyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-phenylpentyl)benzene-1,3-diamine
PubChem CID59708329
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-N-(5-phenylpentyl)benzene-1,3-diamine
SMILESNc1cccc(NCCCCCc2ccccc2)c1
InChIInChI=1S/C17H22N2/c18-16-11-7-12-17(14-16)19-13-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,11-12,14,19H,2,5-6,10,13,18H2
InChIKeyWCXOAJZCNNERCD-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
CID 12040476
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
3-N-octadecylbenzene-1,3-diamine
CID 154090035
3-ethynyl-N-(4-phenylbutyl)aniline
CID 114333079
N-[4-(4-aminophenyl)butyl]-3-methylaniline
CID 94271013
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
3-(3-phenylpropylamino)phenol
CID 28722963
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
CID 43741934
2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931336
3-bromo-4-methyl-N-(4-phenylbutyl)aniline
CID 114333358
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-phenylpentyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(5-phenylpentyl)benzene-1,3-diamine (CID 59708329) is 3-N-(5-phenylpentyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(5-phenylpentyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(5-phenylpentyl)benzene-1,3-diamine is Nc1cccc(NCCCCCc2ccccc2)c1.
What is the InChIKey of 3-N-(5-phenylpentyl)benzene-1,3-diamine?
The InChIKey is WCXOAJZCNNERCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-16-11-7-12-17(14-16)19-13-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,11-12,14,19H,2,5-6,10,13,18H2.
What are the key properties of 3-N-(5-phenylpentyl)benzene-1,3-diamine?
3-N-(5-phenylpentyl)benzene-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-phenylpentyl)benzene-1,3-diamine is sourced from PubChem (CID 59708329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).