ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine

C11H20N2 — CID 144672554

IUPACethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
SMILESC=CC(C=C)=C(N)/N=C\CC.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-7-11-9(10)8(5-2)6-3;1-2/h5-7H,2-4,10H2,1H3;1-2H3/b11-7-;
InChIKeyVIXBYVKQRHJZEU-AJULUCINSA-N
MW180.29 g/mol
LogP3.04
Rot. Bonds4

About ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine

ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine (PubChem CID 144672554) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
PubChem CID144672554
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
SMILESC=CC(C=C)=C(N)/N=C\CC.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-7-11-9(10)8(5-2)6-3;1-2/h5-7H,2-4,10H2,1H3;1-2H3/b11-7-;
InChIKeyVIXBYVKQRHJZEU-AJULUCINSA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.04
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

ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine
CID 142142696
ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970722
(1E,3Z)-2-ethenyl-1-[(Z)-ethylideneamino]hexa-1,3-dien-1-amine
CID 144226713
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine
CID 144528004
ethane;N-[2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dienyl]thiohydroxylamine
CID 145001398
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 145001416
(1E)-2-(but-3-enylideneamino)-1-(ethylideneamino)-3-methylbuta-1,3-dien-1-amine
CID 163856521
(1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane
CID 165400031
(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane
CID 168926494
(1Z)-1-(ethylideneamino)-2,3-dimethylbuta-1,3-dien-1-amine
CID 173536161
2-ethenyl-1-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-1-amine
CID 173701922
(1E)-2-methyl-1-(prop-2-enylideneamino)buta-1,3-dien-1-amine
CID 173829033

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine?
The IUPAC name of ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine (CID 144672554) is ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine.
What is the SMILES notation for ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine?
The canonical SMILES for ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine is C=CC(C=C)=C(N)/N=C\CC.CC.
What is the InChIKey of ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine?
The InChIKey is VIXBYVKQRHJZEU-AJULUCINSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-7-11-9(10)8(5-2)6-3;1-2/h5-7H,2-4,10H2,1H3;1-2H3/b11-7-;.
What are the key properties of ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine?
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine is sourced from PubChem (CID 144672554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).