4,4-dimethyl-3-methyliminopent-1-en-1-amine

C8H16N2 — CID 157338802

IUPAC4,4-dimethyl-3-methyliminopent-1-en-1-amine
SMILESC/N=C(\C=CN)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7(10-4)5-6-9/h5-6H,9H2,1-4H3/b6-5?,10-7+
InChIKeyXSBVUXKWIHGWJO-JDVLXEGBSA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds1

About 4,4-dimethyl-3-methyliminopent-1-en-1-amine

4,4-dimethyl-3-methyliminopent-1-en-1-amine (PubChem CID 157338802) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,4-dimethyl-3-methyliminopent-1-en-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-methyliminopent-1-en-1-amine
PubChem CID157338802
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4,4-dimethyl-3-methyliminopent-1-en-1-amine
SMILESC/N=C(\C=CN)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7(10-4)5-6-9/h5-6H,9H2,1-4H3/b6-5?,10-7+
InChIKeyXSBVUXKWIHGWJO-JDVLXEGBSA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-3-methyliminopent-1-en-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 4,4-dimethyl-3-methyliminopent-1-en-1-amine?
The IUPAC name of 4,4-dimethyl-3-methyliminopent-1-en-1-amine (CID 157338802) is 4,4-dimethyl-3-methyliminopent-1-en-1-amine.
What is the SMILES notation for 4,4-dimethyl-3-methyliminopent-1-en-1-amine?
The canonical SMILES for 4,4-dimethyl-3-methyliminopent-1-en-1-amine is C/N=C(\C=CN)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-methyliminopent-1-en-1-amine?
The InChIKey is XSBVUXKWIHGWJO-JDVLXEGBSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7(10-4)5-6-9/h5-6H,9H2,1-4H3/b6-5?,10-7+.
What are the key properties of 4,4-dimethyl-3-methyliminopent-1-en-1-amine?
4,4-dimethyl-3-methyliminopent-1-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-methyliminopent-1-en-1-amine is sourced from PubChem (CID 157338802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).