(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen

C6H12N2 — CID 145375169

IUPAC(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen
SMILESC=C/C(=C\N=C)CN.[H][H]
InChIInChI=1S/C6H10N2.H2/c1-3-6(4-7)5-8-2;/h3,5H,1-2,4,7H2;1H/b6-5+;
InChIKeyPAYVAIPFECAWLH-IPZCTEOASA-N
MW112.18 g/mol
LogP0.96
Rot. Bonds3

About (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen

(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen (PubChem CID 145375169) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen
PubChem CID145375169
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen
SMILESC=C/C(=C\N=C)CN.[H][H]
InChIInChI=1S/C6H10N2.H2/c1-3-6(4-7)5-8-2;/h3,5H,1-2,4,7H2;1H/b6-5+;
InChIKeyPAYVAIPFECAWLH-IPZCTEOASA-N
XLogP0.96
TPSA38.38 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 ≤ 50.96
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

(2E)-2-[(ethylideneamino)methylidene]-N-fluorobut-3-en-1-amine
CID 89520822
N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 88931617
(Z,3Z)-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89033888
(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 89142453
N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 89390396
(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 90046074
N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide
CID 91474539
(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine
CID 126672637
(1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine
CID 126731686
(Z,2E)-2-[(methylideneamino)methylidene]pent-3-en-1-amine
CID 134185850
(1Z,3Z)-2-ethyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 138460766
(1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine
CID 138479095

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen?
The IUPAC name of (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen (CID 145375169) is (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen.
What is the SMILES notation for (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen?
The canonical SMILES for (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen is C=C/C(=C\N=C)CN.[H][H].
What is the InChIKey of (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen?
The InChIKey is PAYVAIPFECAWLH-IPZCTEOASA-N. The full InChI is InChI=1S/C6H10N2.H2/c1-3-6(4-7)5-8-2;/h3,5H,1-2,4,7H2;1H/b6-5+;.
What are the key properties of (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen?
(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen has a molecular weight of 112.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen is sourced from PubChem (CID 145375169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).