(Z)-N-methylbut-2-en-1-imine;N-methylmethanamine

C7H16N2 — CID 143718002

IUPAC(Z)-N-methylbut-2-en-1-imine;N-methylmethanamine
SMILESC/C=C\C=N\C.CNC
InChIInChI=1S/C5H9N.C2H7N/c1-3-4-5-6-2;1-3-2/h3-5H,1-2H3;3H,1-2H3/b4-3-,6-5+;
InChIKeyNGAABYZHLZTCMS-JICLDBHNSA-N
MW128.22 g/mol
LogP1.10
Rot. Bonds1

About (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine

(Z)-N-methylbut-2-en-1-imine;N-methylmethanamine (PubChem CID 143718002) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine.

Molecular Properties

Compound Name(Z)-N-methylbut-2-en-1-imine;N-methylmethanamine
PubChem CID143718002
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(Z)-N-methylbut-2-en-1-imine;N-methylmethanamine
SMILESC/C=C\C=N\C.CNC
InChIInChI=1S/C5H9N.C2H7N/c1-3-4-5-6-2;1-3-2/h3-5H,1-2H3;3H,1-2H3/b4-3-,6-5+;
InChIKeyNGAABYZHLZTCMS-JICLDBHNSA-N
XLogP1.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.10
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)-N-methylbut-2-en-1-imine;N-methylmethanamine?
The IUPAC name of (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine (CID 143718002) is (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine.
What is the SMILES notation for (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine?
The canonical SMILES for (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine is C/C=C\C=N\C.CNC.
What is the InChIKey of (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine?
The InChIKey is NGAABYZHLZTCMS-JICLDBHNSA-N. The full InChI is InChI=1S/C5H9N.C2H7N/c1-3-4-5-6-2;1-3-2/h3-5H,1-2H3;3H,1-2H3/b4-3-,6-5+;.
What are the key properties of (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine?
(Z)-N-methylbut-2-en-1-imine;N-methylmethanamine has a molecular weight of 128.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methylbut-2-en-1-imine;N-methylmethanamine is sourced from PubChem (CID 143718002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).