3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine

C12H16N2 — CID 146342540

IUPAC3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
SMILESC=CC(=N/C=C\C)/C(C=C)=N/C=C\C
InChIInChI=1S/C12H16N2/c1-5-9-13-11(7-3)12(8-4)14-10-6-2/h5-10H,3-4H2,1-2H3/b9-5-,10-6-,13-11+,14-12+
InChIKeyYLRKOGVWYRZDQX-QMPLAOCDSA-N
MW188.27 g/mol
LogP3.31
Rot. Bonds5

About 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine

3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine (PubChem CID 146342540) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine.

Molecular Properties

Compound Name3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
PubChem CID146342540
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
SMILESC=CC(=N/C=C\C)/C(C=C)=N/C=C\C
InChIInChI=1S/C12H16N2/c1-5-9-13-11(7-3)12(8-4)14-10-6-2/h5-10H,3-4H2,1-2H3/b9-5-,10-6-,13-11+,14-12+
InChIKeyYLRKOGVWYRZDQX-QMPLAOCDSA-N
XLogP3.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
(4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine
CID 170121296
N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
CID 155705669
ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal
CID 170724337
(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
CID 146426453
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532
3,4-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 143339603
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
methyl N-[(E)-prop-1-enyl]ethanimidate
CID 142215629
2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 156522568

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine?
The IUPAC name of 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine (CID 146342540) is 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine.
What is the SMILES notation for 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine?
The canonical SMILES for 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine is C=CC(=N/C=C\C)/C(C=C)=N/C=C\C.
What is the InChIKey of 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine?
The InChIKey is YLRKOGVWYRZDQX-QMPLAOCDSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-9-13-11(7-3)12(8-4)14-10-6-2/h5-10H,3-4H2,1-2H3/b9-5-,10-6-,13-11+,14-12+.
What are the key properties of 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine?
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine has a molecular weight of 188.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine is sourced from PubChem (CID 146342540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).