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

C13H26N2 — CID 145001416

IUPACethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
SMILESC=CC(C=C)=C(N)/N=C\CC.CC.CC
InChIInChI=1S/C9H14N2.2C2H6/c1-4-7-11-9(10)8(5-2)6-3;2*1-2/h5-7H,2-4,10H2,1H3;2*1-2H3/b11-7-;;
InChIKeyAMNNNWXKKPHREU-FJJKMGSJSA-N
MW210.36 g/mol
LogP4.06
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 145001416) has the molecular formula C13H26N2 and a molecular weight of 210.36 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 CID145001416
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
SMILESC=CC(C=C)=C(N)/N=C\CC.CC.CC
InChIInChI=1S/C9H14N2.2C2H6/c1-4-7-11-9(10)8(5-2)6-3;2*1-2/h5-7H,2-4,10H2,1H3;2*1-2H3/b11-7-;;
InChIKeyAMNNNWXKKPHREU-FJJKMGSJSA-N
XLogP4.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
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;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 144672554
ethane;N-[2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dienyl]thiohydroxylamine
CID 145001398
(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 145001416) 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.CC.
What is the InChIKey of ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine?
The InChIKey is AMNNNWXKKPHREU-FJJKMGSJSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-4-7-11-9(10)8(5-2)6-3;2*1-2/h5-7H,2-4,10H2,1H3;2*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 210.36 g/mol, XLogP of 4.06, 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 145001416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).