1,1-diphenylpent-4-en-1-amine

C17H19N — CID 102295553

IUPAC1,1-diphenylpent-4-en-1-amine
SMILESC=CCCC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-2-3-14-17(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2,4-13H,1,3,14,18H2
InChIKeyQZYVJYORRQOHDG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.86
Rot. Bonds5

About 1,1-diphenylpent-4-en-1-amine

1,1-diphenylpent-4-en-1-amine (PubChem CID 102295553) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,1-diphenylpent-4-en-1-amine.

Molecular Properties

Compound Name1,1-diphenylpent-4-en-1-amine
PubChem CID102295553
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1,1-diphenylpent-4-en-1-amine
SMILESC=CCCC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-2-3-14-17(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2,4-13H,1,3,14,18H2
InChIKeyQZYVJYORRQOHDG-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylhept-6-en-3-ylbenzene
CID 160526868
2-amino-2-phenylpent-4-en-1-ol
CID 10464867
3-methyl-3-phenylhept-6-en-2-one
CID 101199283
1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol
CID 146994174
1,1-diphenylpentan-1-amine
CID 10263654
2-butyl-2-phenylhex-5-enenitrile
CID 68827798
1-bromo-3-methyl-3-phenylhept-6-en-2-one
CID 167504728
1,1-diphenylhexan-1-amine
CID 20568221
tert-butyl 2-amino-2-benzhydrylhex-5-enoate
CID 67618075
1,1-diphenylethane-1,2-diamine;platinum
CID 174501053
1,1-diphenylethane-1,2-diamine;hydrochloride
CID 139989781
1,1-diphenyldodecan-1-amine
CID 19925745

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpent-4-en-1-amine?
The IUPAC name of 1,1-diphenylpent-4-en-1-amine (CID 102295553) is 1,1-diphenylpent-4-en-1-amine.
What is the SMILES notation for 1,1-diphenylpent-4-en-1-amine?
The canonical SMILES for 1,1-diphenylpent-4-en-1-amine is C=CCCC(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpent-4-en-1-amine?
The InChIKey is QZYVJYORRQOHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-3-14-17(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2,4-13H,1,3,14,18H2.
What are the key properties of 1,1-diphenylpent-4-en-1-amine?
1,1-diphenylpent-4-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpent-4-en-1-amine is sourced from PubChem (CID 102295553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).