(Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine

C11H13N3 — CID 163493249

IUPAC(Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine
SMILESC=C(N)N=C/C=C(\N)c1ccccc1
InChIInChI=1S/C11H13N3/c1-9(12)14-8-7-11(13)10-5-3-2-4-6-10/h2-8H,1,12-13H2/b11-7-,14-8?
InChIKeyCOKQJHVLDJTXJA-HDPDXMJFSA-N
MW187.25 g/mol
LogP1.49
Rot. Bonds3

About (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine

(Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine (PubChem CID 163493249) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine
PubChem CID163493249
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine
SMILESC=C(N)N=C/C=C(\N)c1ccccc1
InChIInChI=1S/C11H13N3/c1-9(12)14-8-7-11(13)10-5-3-2-4-6-10/h2-8H,1,12-13H2/b11-7-,14-8?
InChIKeyCOKQJHVLDJTXJA-HDPDXMJFSA-N
XLogP1.49
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine
CID 178060886
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine
CID 140582162
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
3-amino-3-phenylprop-2-enethioamide
CID 71410978
3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
CID 174087166
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
CID 144815854
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine
CID 67646972
ethane;molecular hydrogen;1-phenylethenamine
CID 156816097

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine?
The IUPAC name of (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine (CID 163493249) is (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine is C=C(N)N=C/C=C(\N)c1ccccc1.
What is the InChIKey of (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine?
The InChIKey is COKQJHVLDJTXJA-HDPDXMJFSA-N. The full InChI is InChI=1S/C11H13N3/c1-9(12)14-8-7-11(13)10-5-3-2-4-6-10/h2-8H,1,12-13H2/b11-7-,14-8?.
What are the key properties of (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine?
(Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine has a molecular weight of 187.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 163493249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).