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

C8H16N2 — CID 143149332

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

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

ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine (PubChem CID 143149332) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine.

Molecular Properties

Compound Nameethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
PubChem CID143149332
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=N/C=C(/N)C(=C)C.CC
InChIInChI=1S/C6H10N2.C2H6/c1-5(2)6(7)4-8-3;1-2/h4H,1,3,7H2,2H3;1-2H3/b6-4+;
InChIKeySVTBYKLJDJDPII-CVDVRWGVSA-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

N-[(1E)-3-methyl-2-(propan-2-ylideneamino)buta-1,3-dienyl]propan-2-imine
CID 123203094
N-[(3E)-4-(ethylideneamino)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
CID 123400810
N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123590724
N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine
CID 123815893
(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 142885975
(3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
CID 143283347
(1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine;ethane
CID 144159993
(1Z)-3-methyl-2-(methylideneamino)buta-1,3-dien-1-amine
CID 144211799
(1E)-3-methyl-1-(propan-2-ylideneamino)buta-1,3-dien-2-amine
CID 144211940
ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine
CID 144852900
methane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 144859797
(1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine
CID 155281370

Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine?
The IUPAC name of ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine (CID 143149332) is ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine.
What is the SMILES notation for ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine?
The canonical SMILES for ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine is C=N/C=C(/N)C(=C)C.CC.
What is the InChIKey of ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine?
The InChIKey is SVTBYKLJDJDPII-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-5(2)6(7)4-8-3;1-2/h4H,1,3,7H2,2H3;1-2H3/b6-4+;.
What are the key properties of ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine?
ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-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;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine is sourced from PubChem (CID 143149332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).