(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine

C25H27N — CID 162403052

IUPAC(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
SMILESC=CC[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H27N/c1-2-12-25(19-22-13-6-3-7-14-22)26(20-23-15-8-4-9-16-23)21-24-17-10-5-11-18-24/h2-11,13-18,25H,1,12,19-21H2/t25-/m1/s1
InChIKeyBBKKZMMZLHPUAH-RUZDIDTESA-N
MW341.50 g/mol
LogP5.88
Rot. Bonds9

About (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine

(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine (PubChem CID 162403052) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine.

Molecular Properties

Compound Name(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
PubChem CID162403052
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
SMILESC=CC[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H27N/c1-2-12-25(19-22-13-6-3-7-14-22)26(20-23-15-8-4-9-16-23)21-24-17-10-5-11-18-24/h2-11,13-18,25H,1,12,19-21H2/t25-/m1/s1
InChIKeyBBKKZMMZLHPUAH-RUZDIDTESA-N
XLogP5.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine
CID 11357688
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol
CID 67671911
1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine
CID 11144541
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
prop-2-enyl 2-(dibenzylamino)-3-phenylpropanoate
CID 86226011
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
1-N,1-N-dibenzylpent-4-ene-1,2-diamine
CID 130698505
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide
CID 89180965
(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol
CID 10945056

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine?
The IUPAC name of (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine (CID 162403052) is (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine.
What is the SMILES notation for (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine?
The canonical SMILES for (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine is C=CC[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine?
The InChIKey is BBKKZMMZLHPUAH-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27N/c1-2-12-25(19-22-13-6-3-7-14-22)26(20-23-15-8-4-9-16-23)21-24-17-10-5-11-18-24/h2-11,13-18,25H,1,12,19-21H2/t25-/m1/s1.
What are the key properties of (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine?
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine has a molecular weight of 341.50 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine is sourced from PubChem (CID 162403052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).