(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine

C13H18N2 — CID 129191557

IUPAC(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(=C/N)C(/C=C\C)=N\C=C/C
InChIInChI=1S/C13H18N2/c1-4-7-9-12(11-14)13(8-5-2)15-10-6-3/h4-11H,1,14H2,2-3H3/b8-5-,9-7-,10-6-,12-11+,15-13-
InChIKeyZAEYNDRLXXDIJE-FVXZHFQVSA-N
MW202.30 g/mol
LogP3.12
Rot. Bonds5

About (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine

(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine (PubChem CID 129191557) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine
PubChem CID129191557
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(=C/N)C(/C=C\C)=N\C=C/C
InChIInChI=1S/C13H18N2/c1-4-7-9-12(11-14)13(8-5-2)15-10-6-3/h4-11H,1,14H2,2-3H3/b8-5-,9-7-,10-6-,12-11+,15-13-
InChIKeyZAEYNDRLXXDIJE-FVXZHFQVSA-N
XLogP3.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90725446
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CID 121321882
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
(E)-1-[[(3E,5E)-3-ethenyl-6-(trifluoromethyl)nona-3,5-dien-2-ylidene]amino]prop-1-en-2-amine
CID 156184677
(1Z,4E)-1-(ethylideneamino)-5-[[(Z)-6-fluoro-5-methylidenehept-3-en-2-ylidene]amino]-4-methyl-3-methylidenepenta-1,4-dien-1-amine
CID 173816436
2,5-dimethyl-3H-azepine
CID 11819081
(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
N-methyl-6-(1-methyl-3H-pyrrol-1-ium-2-yl)hexa-1,3,5-trien-1-amine
CID 59893250
2,3-dimethyl-4-[2-(1-methyl-3H-pyrrol-1-ium-2-yl)ethenyl]cyclopenta-1,3-dien-1-amine
CID 59977918
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine (CID 129191557) is (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine is C=C/C=C\C(=C/N)C(/C=C\C)=N\C=C/C.
What is the InChIKey of (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine?
The InChIKey is ZAEYNDRLXXDIJE-FVXZHFQVSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-7-9-12(11-14)13(8-5-2)15-10-6-3/h4-11H,1,14H2,2-3H3/b8-5-,9-7-,10-6-,12-11+,15-13-.
What are the key properties of (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine?
(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 129191557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).