ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine

C12H22N2 — CID 143396319

IUPACethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine
SMILESC=CC(/C=C\CCC)=C(/N)N=C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-6-7-8-9(5-2)10(11)12-3;1-2/h5,7-8H,2-4,6,11H2,1H3;1-2H3/b8-7-,10-9+;
InChIKeyNBSDLLLNROMTKR-AXEASZOCSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds5

About ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine

ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine (PubChem CID 143396319) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine
PubChem CID143396319
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine
SMILESC=CC(/C=C\CCC)=C(/N)N=C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-6-7-8-9(5-2)10(11)12-3;1-2/h5,7-8H,2-4,6,11H2,1H3;1-2H3/b8-7-,10-9+;
InChIKeyNBSDLLLNROMTKR-AXEASZOCSA-N
XLogP3.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
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

N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine
CID 123310064
N-[(3Z,4E,6E)-3-[(methylideneamino)methylidene]octa-4,6-dienyl]methanimine
CID 124182027
(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine
CID 126593826
N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide
CID 126734111
(1Z,3Z)-1-[(Z)-ethylideneamino]-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 129312448
(1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 134299504
(1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine
CID 138510533
2-Methylocta-1,3-diene-1,1-diamine
CID 141341758
(Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
CID 142166817
2-(1-Cyclohepta-1,3,5-trien-1-yl-2-methylprop-1-enyl)-1-methylideneguanidine
CID 142258044

Frequently Asked Questions

What is the IUPAC name of ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine?
The IUPAC name of ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine (CID 143396319) is ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine is C=CC(/C=C\CCC)=C(/N)N=C.CC.
What is the InChIKey of ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine?
The InChIKey is NBSDLLLNROMTKR-AXEASZOCSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-6-7-8-9(5-2)10(11)12-3;1-2/h5,7-8H,2-4,6,11H2,1H3;1-2H3/b8-7-,10-9+;.
What are the key properties of ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine?
ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine has a molecular weight of 194.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine is sourced from PubChem (CID 143396319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).