2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine

C13H20N2 — CID 159526177

IUPAC2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine
SMILESC/N=C1\C(C)=C(N)C(C)=C(C)C1=C(C)C
InChIInChI=1S/C13H20N2/c1-7(2)11-8(3)9(4)12(14)10(5)13(11)15-6/h14H2,1-6H3/b15-13+
InChIKeyLWNOUIRDXJKEDS-FYWRMAATSA-N
MW204.32 g/mol
LogP2.98
Rot. Bonds

About 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine

2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine (PubChem CID 159526177) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine
PubChem CID159526177
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine
SMILESC/N=C1\C(C)=C(N)C(C)=C(C)C1=C(C)C
InChIInChI=1S/C13H20N2/c1-7(2)11-8(3)9(4)12(14)10(5)13(11)15-6/h14H2,1-6H3/b15-13+
InChIKeyLWNOUIRDXJKEDS-FYWRMAATSA-N
XLogP2.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-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 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine (CID 159526177) is 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine is C/N=C1\C(C)=C(N)C(C)=C(C)C1=C(C)C.
What is the InChIKey of 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine?
The InChIKey is LWNOUIRDXJKEDS-FYWRMAATSA-N. The full InChI is InChI=1S/C13H20N2/c1-7(2)11-8(3)9(4)12(14)10(5)13(11)15-6/h14H2,1-6H3/b15-13+.
What are the key properties of 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine?
2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 159526177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).