(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen

C6H12N2 — CID 142986586

IUPAC(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen
SMILESC=C/C=C(\N=C)NC.[H][H]
InChIInChI=1S/C6H10N2.H2/c1-4-5-6(7-2)8-3;/h4-5,8H,1-2H2,3H3;1H/b6-5+;
InChIKeyBEJVYIVBKXCDBR-IPZCTEOASA-N
MW112.18 g/mol
LogP1.18
Rot. Bonds3

About (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen

(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen (PubChem CID 142986586) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen
PubChem CID142986586
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen
SMILESC=C/C=C(\N=C)NC.[H][H]
InChIInChI=1S/C6H10N2.H2/c1-4-5-6(7-2)8-3;/h4-5,8H,1-2H2,3H3;1H/b6-5+;
InChIKeyBEJVYIVBKXCDBR-IPZCTEOASA-N
XLogP1.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.18
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

(1E,3E)-4-chloro-1-N'-methyl-4-(methylideneamino)buta-1,3-diene-1,1-diamine
CID 89240750
(1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine
CID 89348813
(1E,3Z)-1-N'-methyl-4-(methylideneamino)buta-1,3-diene-1,1-diamine
CID 89881812
(1Z)-N-(methoxymethyl)-1-(methylideneamino)buta-1,3-dien-1-amine
CID 90211020
N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 123872415
(1Z,3Z)-5-bromo-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 126641634
(1Z,3Z)-N-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 126647299
(1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
CID 139401600
(1E,3Z)-1-N'-methylhexa-1,3,5-triene-1,1-diamine
CID 141789206
(1Z)-N-methyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 141975063
(1Z)-1-[(Z)-ethylideneamino]-N-methylbuta-1,3-dien-1-amine
CID 141975085
ethane;(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 141975627

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen?
The IUPAC name of (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen (CID 142986586) is (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen.
What is the SMILES notation for (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen?
The canonical SMILES for (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen is C=C/C=C(\N=C)NC.[H][H].
What is the InChIKey of (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen?
The InChIKey is BEJVYIVBKXCDBR-IPZCTEOASA-N. The full InChI is InChI=1S/C6H10N2.H2/c1-4-5-6(7-2)8-3;/h4-5,8H,1-2H2,3H3;1H/b6-5+;.
What are the key properties of (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen?
(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen has a molecular weight of 112.18 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen is sourced from PubChem (CID 142986586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).