N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine

C7H14N2 — CID 155350403

IUPACN-methyl-2-methylidene-N-(methylideneamino)butan-1-amine
SMILESC=NN(C)CC(=C)CC
InChIInChI=1S/C7H14N2/c1-5-7(2)6-9(4)8-3/h2-3,5-6H2,1,4H3
InChIKeyVZBXMZCJQJEPLS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds4

About N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine

N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine (PubChem CID 155350403) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-(methylideneamino)butan-1-amine
PubChem CID155350403
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-2-methylidene-N-(methylideneamino)butan-1-amine
SMILESC=NN(C)CC(=C)CC
InChIInChI=1S/C7H14N2/c1-5-7(2)6-9(4)8-3/h2-3,5-6H2,1,4H3
InChIKeyVZBXMZCJQJEPLS-UHFFFAOYSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-2-methylidene-N-(methylideneamino)butan-1-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 N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine?
The IUPAC name of N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine (CID 155350403) is N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine.
What is the SMILES notation for N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine?
The canonical SMILES for N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine is C=NN(C)CC(=C)CC.
What is the InChIKey of N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine?
The InChIKey is VZBXMZCJQJEPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-7(2)6-9(4)8-3/h2-3,5-6H2,1,4H3.
What are the key properties of N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine?
N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine is sourced from PubChem (CID 155350403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).