4,4-Dimethyl-1-methyliminopent-2-en-3-amine

C8H16N2 — CID 163879852

IUPAC4,4-dimethyl-1-methyliminopent-2-en-3-amine
SMILESCC(C)(C)C(=CC=NC)N
InChIInChI=1S/C8H16N2/c1-8(2,3)7(9)5-6-10-4/h5-6H,9H2,1-4H3
InChIKeyQVFXQQVUHALFER-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.10
Rot. Bonds2

About 4,4-Dimethyl-1-methyliminopent-2-en-3-amine

4,4-Dimethyl-1-methyliminopent-2-en-3-amine (PubChem CID 163879852) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,4-dimethyl-1-methyliminopent-2-en-3-amine.

Molecular Properties

Compound Name4,4-Dimethyl-1-methyliminopent-2-en-3-amine
PubChem CID163879852
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4,4-dimethyl-1-methyliminopent-2-en-3-amine
SMILESCC(C)(C)C(=CC=NC)N
InChIInChI=1S/C8H16N2/c1-8(2,3)7(9)5-6-10-4/h5-6H,9H2,1-4H3
InChIKeyQVFXQQVUHALFER-UHFFFAOYSA-N
XLogP1.10
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity149

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-Dimethyl-1-methyliminopent-2-en-3-amine?
The IUPAC name of 4,4-Dimethyl-1-methyliminopent-2-en-3-amine (CID 163879852) is 4,4-dimethyl-1-methyliminopent-2-en-3-amine.
What is the SMILES notation for 4,4-Dimethyl-1-methyliminopent-2-en-3-amine?
The canonical SMILES for 4,4-Dimethyl-1-methyliminopent-2-en-3-amine is CC(C)(C)C(=CC=NC)N.
What is the InChIKey of 4,4-Dimethyl-1-methyliminopent-2-en-3-amine?
The InChIKey is QVFXQQVUHALFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7(9)5-6-10-4/h5-6H,9H2,1-4H3.
What are the key properties of 4,4-Dimethyl-1-methyliminopent-2-en-3-amine?
4,4-Dimethyl-1-methyliminopent-2-en-3-amine has a molecular weight of 140.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-Dimethyl-1-methyliminopent-2-en-3-amine is sourced from PubChem (CID 163879852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).