(Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine

C7H14N2 — CID 137431450

IUPAC(Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine
SMILESC=N/C=C(\NC)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(9-4)5-8-3/h5-6,9H,3H2,1-2,4H3/b7-5-
InChIKeyVOWMIOZLFVDCPY-ALCCZGGFSA-N
MW126.20 g/mol
LogP1.40
Rot. Bonds3

About (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine

(Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine (PubChem CID 137431450) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine
PubChem CID137431450
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine
SMILESC=N/C=C(\NC)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(9-4)5-8-3/h5-6,9H,3H2,1-2,4H3/b7-5-
InChIKeyVOWMIOZLFVDCPY-ALCCZGGFSA-N
XLogP1.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine?
The IUPAC name of (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine (CID 137431450) is (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine.
What is the SMILES notation for (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine?
The canonical SMILES for (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine is C=N/C=C(\NC)C(C)C.
What is the InChIKey of (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine?
The InChIKey is VOWMIOZLFVDCPY-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(9-4)5-8-3/h5-6,9H,3H2,1-2,4H3/b7-5-.
What are the key properties of (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine?
(Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine is sourced from PubChem (CID 137431450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).