(1Z)-3-phenylbuta-1,3-dien-1-amine

C10H11N — CID 118909189

IUPAC(1Z)-3-phenylbuta-1,3-dien-1-amine
SMILESC=C(/C=C\N)c1ccccc1
InChIInChI=1S/C10H11N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-8H,1,11H2/b8-7-
InChIKeyAUYXNWGCGKVTEO-FPLPWBNLSA-N
MW145.20 g/mol
LogP2.17
Rot. Bonds2

About (1Z)-3-phenylbuta-1,3-dien-1-amine

(1Z)-3-phenylbuta-1,3-dien-1-amine (PubChem CID 118909189) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (1Z)-3-phenylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-phenylbuta-1,3-dien-1-amine
PubChem CID118909189
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(1Z)-3-phenylbuta-1,3-dien-1-amine
SMILESC=C(/C=C\N)c1ccccc1
InChIInChI=1S/C10H11N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-8H,1,11H2/b8-7-
InChIKeyAUYXNWGCGKVTEO-FPLPWBNLSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
CID 142226114
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol
CID 173058434
(3E,5Z)-6-amino-2-methylidene-4-phenylhexa-3,5-dienal
CID 89294053
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
1-[(1E)-3-phenylbuta-1,3-dienyl]pyrazole
CID 135060716
methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium
CID 143963198
(Z)-2-amino-1-phenylethenethiol
CID 89189734
(1Z,3E)-3,5-diphenylpenta-1,3-dien-1-amine
CID 145186823
1-methyl-2-[(1Z)-3-phenylbuta-1,3-dienyl]pyridin-1-ium
CID 92529986
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-phenylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-3-phenylbuta-1,3-dien-1-amine (CID 118909189) is (1Z)-3-phenylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-3-phenylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-3-phenylbuta-1,3-dien-1-amine is C=C(/C=C\N)c1ccccc1.
What is the InChIKey of (1Z)-3-phenylbuta-1,3-dien-1-amine?
The InChIKey is AUYXNWGCGKVTEO-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H11N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-8H,1,11H2/b8-7-.
What are the key properties of (1Z)-3-phenylbuta-1,3-dien-1-amine?
(1Z)-3-phenylbuta-1,3-dien-1-amine has a molecular weight of 145.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-phenylbuta-1,3-dien-1-amine is sourced from PubChem (CID 118909189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).