N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride

C17H19ClN2 — CID 156769012

IUPACN,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
SMILESC(C=CNc1ccccc1)=CCNc1ccccc1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-14,18-19H,15H2;1H
InChIKeyKBHPJZNRPYBVNO-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.70
Rot. Bonds6

About N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride

N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride (PubChem CID 156769012) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
PubChem CID156769012
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
SMILESC(C=CNc1ccccc1)=CCNc1ccccc1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-14,18-19H,15H2;1H
InChIKeyKBHPJZNRPYBVNO-UHFFFAOYSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-[(1E)-penta-1,4-dienyl]aniline
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Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride?
The IUPAC name of N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride (CID 156769012) is N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride.
What is the SMILES notation for N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride?
The canonical SMILES for N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride is C(C=CNc1ccccc1)=CCNc1ccccc1.Cl.
What is the InChIKey of N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride?
The InChIKey is KBHPJZNRPYBVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-14,18-19H,15H2;1H.
What are the key properties of N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride?
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride is sourced from PubChem (CID 156769012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).