N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine

C25H23N — CID 135025577

IUPACN-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
SMILESC=CCN(Cc1ccccc1)C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N/c1-2-20-26(21-23-14-8-4-9-15-23)25(24-16-10-5-11-17-24)19-18-22-12-6-3-7-13-22/h2-17,25H,1,20-21H2
InChIKeyBRXGJHIVAKEHQM-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.47
Rot. Bonds6

About N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine

N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine (PubChem CID 135025577) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
PubChem CID135025577
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
SMILESC=CCN(Cc1ccccc1)C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N/c1-2-20-26(21-23-14-8-4-9-15-23)25(24-16-10-5-11-17-24)19-18-22-12-6-3-7-13-22/h2-17,25H,1,20-21H2
InChIKeyBRXGJHIVAKEHQM-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 54579274
(3S)-N-benzyl-1-phenyl-N-prop-2-enylhept-1-yn-3-amine
CID 15527138
1-(4-chlorophenyl)-N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine
CID 126744130
1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
N,N-dibenzyl-4-ethyl-1-phenylhex-1-yn-3-amine
CID 102105141
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine
CID 11357688
1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
CID 101346242
(5R)-5-(dibenzylamino)-2-methyl-5-phenylpent-3-yn-2-ol
CID 164681740
N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 11185890
N,N-diethyl-1-phenylhex-5-en-1-yn-3-amine
CID 4266736
1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine
CID 11144541

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine?
The IUPAC name of N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine (CID 135025577) is N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine?
The canonical SMILES for N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine is C=CCN(Cc1ccccc1)C(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine?
The InChIKey is BRXGJHIVAKEHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-2-20-26(21-23-14-8-4-9-15-23)25(24-16-10-5-11-17-24)19-18-22-12-6-3-7-13-22/h2-17,25H,1,20-21H2.
What are the key properties of N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine?
N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine has a molecular weight of 337.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine is sourced from PubChem (CID 135025577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).