(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine

C23H28FN — CID 155405754

IUPAC(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine
SMILESC=C(/C=C\Cc1ccc(F)cc1)CN(CCCC)Cc1ccccc1
InChIInChI=1S/C23H28FN/c1-3-4-17-25(19-22-10-6-5-7-11-22)18-20(2)9-8-12-21-13-15-23(24)16-14-21/h5-11,13-16H,2-4,12,17-19H2,1H3/b9-8-
InChIKeyYIGVSBQBUBKRAA-HJWRWDBZSA-N
MW337.48 g/mol
LogP5.78
Rot. Bonds10

About (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine

(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine (PubChem CID 155405754) has the molecular formula C23H28FN and a molecular weight of 337.48 g/mol. Its IUPAC name is (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine
PubChem CID155405754
Molecular FormulaC23H28FN
Molecular Weight337.48 g/mol
Exact Mass337.22
IUPAC Name(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine
SMILESC=C(/C=C\Cc1ccc(F)cc1)CN(CCCC)Cc1ccccc1
InChIInChI=1S/C23H28FN/c1-3-4-17-25(19-22-10-6-5-7-11-22)18-20(2)9-8-12-21-13-15-23(24)16-14-21/h5-11,13-16H,2-4,12,17-19H2,1H3/b9-8-
InChIKeyYIGVSBQBUBKRAA-HJWRWDBZSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632
3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 63389177
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
CID 15536548
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine?
The IUPAC name of (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine (CID 155405754) is (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine.
What is the SMILES notation for (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine?
The canonical SMILES for (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine is C=C(/C=C\Cc1ccc(F)cc1)CN(CCCC)Cc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine?
The InChIKey is YIGVSBQBUBKRAA-HJWRWDBZSA-N. The full InChI is InChI=1S/C23H28FN/c1-3-4-17-25(19-22-10-6-5-7-11-22)18-20(2)9-8-12-21-13-15-23(24)16-14-21/h5-11,13-16H,2-4,12,17-19H2,1H3/b9-8-.
What are the key properties of (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine?
(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine has a molecular weight of 337.48 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine is sourced from PubChem (CID 155405754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).