(Z)-2-(methyliminomethyl)but-1-en-1-amine

C6H12N2 — CID 88563723

IUPAC(Z)-2-(methyliminomethyl)but-1-en-1-amine
SMILESCCC(=C/N)/C=N/C
InChIInChI=1S/C6H12N2/c1-3-6(4-7)5-8-2/h4-5H,3,7H2,1-2H3/b6-4-,8-5+
InChIKeyGZRYRAGITFOWOW-QXMOYCCXSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds2

About (Z)-2-(methyliminomethyl)but-1-en-1-amine

(Z)-2-(methyliminomethyl)but-1-en-1-amine (PubChem CID 88563723) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-2-(methyliminomethyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(methyliminomethyl)but-1-en-1-amine
PubChem CID88563723
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-2-(methyliminomethyl)but-1-en-1-amine
SMILESCCC(=C/N)/C=N/C
InChIInChI=1S/C6H12N2/c1-3-6(4-7)5-8-2/h4-5H,3,7H2,1-2H3/b6-4-,8-5+
InChIKeyGZRYRAGITFOWOW-QXMOYCCXSA-N
XLogP0.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methyliminomethyl)but-1-en-1-amine?
The IUPAC name of (Z)-2-(methyliminomethyl)but-1-en-1-amine (CID 88563723) is (Z)-2-(methyliminomethyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-2-(methyliminomethyl)but-1-en-1-amine?
The canonical SMILES for (Z)-2-(methyliminomethyl)but-1-en-1-amine is CCC(=C/N)/C=N/C.
What is the InChIKey of (Z)-2-(methyliminomethyl)but-1-en-1-amine?
The InChIKey is GZRYRAGITFOWOW-QXMOYCCXSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(4-7)5-8-2/h4-5H,3,7H2,1-2H3/b6-4-,8-5+.
What are the key properties of (Z)-2-(methyliminomethyl)but-1-en-1-amine?
(Z)-2-(methyliminomethyl)but-1-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methyliminomethyl)but-1-en-1-amine is sourced from PubChem (CID 88563723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).