N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine

C15H18F3N — CID 11357688

IUPACN-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine
SMILESC=CCC(N(CC=C)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H18F3N/c1-3-8-14(15(16,17)18)19(11-4-2)12-13-9-6-5-7-10-13/h3-7,9-10,14H,1-2,8,11-12H2
InChIKeyBQSLPJQHYMOLGU-UHFFFAOYSA-N
MW269.31 g/mol
LogP4.18
Rot. Bonds7

About N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine

N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine (PubChem CID 11357688) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine
PubChem CID11357688
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine
SMILESC=CCC(N(CC=C)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H18F3N/c1-3-8-14(15(16,17)18)19(11-4-2)12-13-9-6-5-7-10-13/h3-7,9-10,14H,1-2,8,11-12H2
InChIKeyBQSLPJQHYMOLGU-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 54.18
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-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine
CID 11144541
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 135025577
N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride
CID 173049052
4-[benzyl(prop-2-enyl)amino]-2-methyl-5-phenylpent-1-en-3-one
CID 134887103
1-N,1-N-dibenzylpent-4-ene-1,2-diamine
CID 130698505
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 154621376
(2R)-N-benzyl-2-hydroxy-N-methylpent-4-enamide
CID 11172024
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine?
The IUPAC name of N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine (CID 11357688) is N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine.
What is the SMILES notation for N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine?
The canonical SMILES for N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine is C=CCC(N(CC=C)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine?
The InChIKey is BQSLPJQHYMOLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N/c1-3-8-14(15(16,17)18)19(11-4-2)12-13-9-6-5-7-10-13/h3-7,9-10,14H,1-2,8,11-12H2.
What are the key properties of N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine?
N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine has a molecular weight of 269.31 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1-trifluoro-N-prop-2-enylpent-4-en-2-amine is sourced from PubChem (CID 11357688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).