N-methyl-N-(3-methylbut-2-enylideneamino)methanamine

C7H14N2 — CID 580943

IUPACN-methyl-N-(3-methylbut-2-enylideneamino)methanamine
SMILESCC(C)=CC=NN(C)C
InChIInChI=1S/C7H14N2/c1-7(2)5-6-8-9(3)4/h5-6H,1-4H3
InChIKeyKZFYEQGUCXROPI-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-N-(3-methylbut-2-enylideneamino)methanamine

N-methyl-N-(3-methylbut-2-enylideneamino)methanamine (PubChem CID 580943) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-N-(3-methylbut-2-enylideneamino)methanamine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbut-2-enylideneamino)methanamine
PubChem CID580943
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-N-(3-methylbut-2-enylideneamino)methanamine
SMILESCC(C)=CC=NN(C)C
InChIInChI=1S/C7H14N2/c1-7(2)5-6-8-9(3)4/h5-6H,1-4H3
InChIKeyKZFYEQGUCXROPI-UHFFFAOYSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-(3-methylbut-2-enylideneamino)methanamine 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-N-(3-methylbut-2-enylideneamino)methanamine?
The IUPAC name of N-methyl-N-(3-methylbut-2-enylideneamino)methanamine (CID 580943) is N-methyl-N-(3-methylbut-2-enylideneamino)methanamine.
What is the SMILES notation for N-methyl-N-(3-methylbut-2-enylideneamino)methanamine?
The canonical SMILES for N-methyl-N-(3-methylbut-2-enylideneamino)methanamine is CC(C)=CC=NN(C)C.
What is the InChIKey of N-methyl-N-(3-methylbut-2-enylideneamino)methanamine?
The InChIKey is KZFYEQGUCXROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)5-6-8-9(3)4/h5-6H,1-4H3.
What are the key properties of N-methyl-N-(3-methylbut-2-enylideneamino)methanamine?
N-methyl-N-(3-methylbut-2-enylideneamino)methanamine has a molecular weight of 126.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbut-2-enylideneamino)methanamine is sourced from PubChem (CID 580943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).