ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine

C8H16N2 — CID 142970722

IUPACethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C(C)=C(/N)N=C.CC
InChIInChI=1S/C6H10N2.C2H6/c1-4-5(2)6(7)8-3;1-2/h4H,1,3,7H2,2H3;1-2H3/b6-5-;
InChIKeyRCRKLYYQVUAOCP-YSMBQZINSA-N
MW140.23 g/mol
LogP2.09
Rot. Bonds2

About ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine

ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 142970722) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
PubChem CID142970722
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C(C)=C(/N)N=C.CC
InChIInChI=1S/C6H10N2.C2H6/c1-4-5(2)6(7)8-3;1-2/h4H,1,3,7H2,2H3;1-2H3/b6-5-;
InChIKeyRCRKLYYQVUAOCP-YSMBQZINSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.09
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

(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 126571350
ethane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 141903434
methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142088782
ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 142915706
ethane;(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933163
(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970723
ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine
CID 143396319
N'-[(1E)-1-amino-2-methylbuta-1,3-dienyl]-N-methylidenemethanimidamide
CID 144028917
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 144672554
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 145001416
(1Z)-3-methylidene-1-(methylideneamino)penta-1,4-dien-1-amine
CID 168181137
(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane
CID 168926494

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine (CID 142970722) is ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine is C=C/C(C)=C(/N)N=C.CC.
What is the InChIKey of ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is RCRKLYYQVUAOCP-YSMBQZINSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-4-5(2)6(7)8-3;1-2/h4H,1,3,7H2,2H3;1-2H3/b6-5-;.
What are the key properties of ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine has a molecular weight of 140.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 142970722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).