(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine

C19H22N2 — CID 11000397

IUPAC(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine
SMILESCCCC/N=C(/C=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-2-3-14-21-19(17-12-8-5-9-13-17)15-18(20)16-10-6-4-7-11-16/h4-13,15H,2-3,14,20H2,1H3/b18-15-,21-19-
InChIKeyMGYJIKVYFUOJDT-RWTJFWDBSA-N
MW278.40 g/mol
LogP4.28
Rot. Bonds6

About (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine

(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine (PubChem CID 11000397) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine
PubChem CID11000397
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine
SMILESCCCC/N=C(/C=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-2-3-14-21-19(17-12-8-5-9-13-17)15-18(20)16-10-6-4-7-11-16/h4-13,15H,2-3,14,20H2,1H3/b18-15-,21-19-
InChIKeyMGYJIKVYFUOJDT-RWTJFWDBSA-N
XLogP4.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine
CID 10968854
ethyl N-butylbenzenecarboximidate
CID 19093178
N'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228
N-[(E)-4-butylimino-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]-4-methoxyaniline
CID 177447046
(E)-N'-butyl-3-phenylprop-2-enimidamide;hydrochloride
CID 69131247
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
N-hexadecyl-1-phenylethanimine
CID 102417154
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N,N'-dibutyl-N-hydroxybenzenecarboximidamide
CID 87477851
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
(1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine
CID 145094383
tris(N-hexyl-1-phenyl-1-phenylmethanimine);iridium(3+)
CID 59072505

Frequently Asked Questions

What is the IUPAC name of (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine?
The IUPAC name of (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine (CID 11000397) is (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine is CCCC/N=C(/C=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine?
The InChIKey is MGYJIKVYFUOJDT-RWTJFWDBSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-3-14-21-19(17-12-8-5-9-13-17)15-18(20)16-10-6-4-7-11-16/h4-13,15H,2-3,14,20H2,1H3/b18-15-,21-19-.
What are the key properties of (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine?
(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine is sourced from PubChem (CID 11000397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).