4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine

C13H26N2 — CID 166775426

IUPAC4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine
SMILESC/C=C(\N=C\C(C)C(C)NC)C(C)(C)C
InChIInChI=1S/C13H26N2/c1-8-12(13(4,5)6)15-9-10(2)11(3)14-7/h8-11,14H,1-7H3/b12-8-,15-9+
InChIKeyZJLSLFFVFMNKNW-MSDVTEOZSA-N
MW210.36 g/mol
LogP3.25
Rot. Bonds4

About 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine

4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine (PubChem CID 166775426) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine
PubChem CID166775426
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine
SMILESC/C=C(\N=C\C(C)C(C)NC)C(C)(C)C
InChIInChI=1S/C13H26N2/c1-8-12(13(4,5)6)15-9-10(2)11(3)14-7/h8-11,14H,1-7H3/b12-8-,15-9+
InChIKeyZJLSLFFVFMNKNW-MSDVTEOZSA-N
XLogP3.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-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 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine?
The IUPAC name of 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine (CID 166775426) is 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine?
The canonical SMILES for 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine is C/C=C(\N=C\C(C)C(C)NC)C(C)(C)C.
What is the InChIKey of 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine?
The InChIKey is ZJLSLFFVFMNKNW-MSDVTEOZSA-N. The full InChI is InChI=1S/C13H26N2/c1-8-12(13(4,5)6)15-9-10(2)11(3)14-7/h8-11,14H,1-7H3/b12-8-,15-9+.
What are the key properties of 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine?
4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine has a molecular weight of 210.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 166775426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).