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

C7H14N2 — CID 142088782

IUPACmethane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC.C=N/C(N)=C\C(=C)C
InChIInChI=1S/C6H10N2.CH4/c1-5(2)4-6(7)8-3;/h4H,1,3,7H2,2H3;1H4/b6-4-;
InChIKeySTMWPGKYXGXMEO-YHSAGPEESA-N
MW126.20 g/mol
LogP1.70
Rot. Bonds2

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

methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 142088782) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Namemethane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
PubChem CID142088782
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namemethane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC.C=N/C(N)=C\C(=C)C
InChIInChI=1S/C6H10N2.CH4/c1-5(2)4-6(7)8-3;/h4H,1,3,7H2,2H3;1H4/b6-4-;
InChIKeySTMWPGKYXGXMEO-YHSAGPEESA-N
XLogP1.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.70
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'}

Analyze methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 89142453
(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 90046074
(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 117806878
(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
ethane;(1Z)-1-(methylideneamino)buta-1,3-dien-1-amine
CID 141997054
ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970722
(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970723
(1Z)-N,3-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 143723048
N'-[(1E)-1-amino-2-methylbuta-1,3-dienyl]-N-methylidenemethanimidamide
CID 144028917
(1E)-3-methyl-1-(methylideneamino)buta-1,3-diene-1,2-diamine
CID 145061514
(Z)-4-methyl-3-methylidene-1-(methylideneamino)pent-1-en-1-amine
CID 153575024

Frequently Asked Questions

What is the IUPAC name of methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine (CID 142088782) is methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine is C.C=N/C(N)=C\C(=C)C.
What is the InChIKey of methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is STMWPGKYXGXMEO-YHSAGPEESA-N. The full InChI is InChI=1S/C6H10N2.CH4/c1-5(2)4-6(7)8-3;/h4H,1,3,7H2,2H3;1H4/b6-4-;.
What are the key properties of methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 142088782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).