1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine

C23H32N2 — CID 90846973

IUPAC1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine
SMILESCCCC(NCCCc1ccccc1)C(N)CC=Cc1ccccc1
InChIInChI=1S/C23H32N2/c1-2-11-23(25-19-10-17-21-14-7-4-8-15-21)22(24)18-9-16-20-12-5-3-6-13-20/h3-9,12-16,22-23,25H,2,10-11,17-19,24H2,1H3
InChIKeyFADQNPHXMDHUCB-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.81
Rot. Bonds11

About 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine

1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine (PubChem CID 90846973) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine.

Molecular Properties

Compound Name1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine
PubChem CID90846973
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine
SMILESCCCC(NCCCc1ccccc1)C(N)CC=Cc1ccccc1
InChIInChI=1S/C23H32N2/c1-2-11-23(25-19-10-17-21-14-7-4-8-15-21)22(24)18-9-16-20-12-5-3-6-13-20/h3-9,12-16,22-23,25H,2,10-11,17-19,24H2,1H3
InChIKeyFADQNPHXMDHUCB-UHFFFAOYSA-N
XLogP4.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine
CID 70640715
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
(E)-5-phenylpent-4-en-2-amine
CID 55254237
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine
CID 106353921
1-N,1-N,3-trimethyl-2-N-(3-phenylpropyl)butane-1,2-diamine
CID 54953976
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255
5-methoxy-1-phenyl-N-propyloctan-4-amine
CID 116719481
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
CID 76925665
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine?
The IUPAC name of 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine (CID 90846973) is 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine.
What is the SMILES notation for 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine?
The canonical SMILES for 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine is CCCC(NCCCc1ccccc1)C(N)CC=Cc1ccccc1.
What is the InChIKey of 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine?
The InChIKey is FADQNPHXMDHUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-2-11-23(25-19-10-17-21-14-7-4-8-15-21)22(24)18-9-16-20-12-5-3-6-13-20/h3-9,12-16,22-23,25H,2,10-11,17-19,24H2,1H3.
What are the key properties of 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine?
1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine has a molecular weight of 336.52 g/mol, XLogP of 4.81, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-N-(3-phenylpropyl)oct-1-ene-4,5-diamine is sourced from PubChem (CID 90846973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).