N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine

C11H22N2 — CID 174067373

IUPACN-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine
SMILESCCNC(=C/C=N/C)C(C)(C)CC
InChIInChI=1S/C11H22N2/c1-6-11(3,4)10(13-7-2)8-9-12-5/h8-9,13H,6-7H2,1-5H3/b10-8?,12-9+
InChIKeyUCAWULBKGUYTKN-AVZJTKQCSA-N
MW182.31 g/mol
LogP2.62
Rot. Bonds5

About N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine

N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine (PubChem CID 174067373) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine
PubChem CID174067373
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine
SMILESCCNC(=C/C=N/C)C(C)(C)CC
InChIInChI=1S/C11H22N2/c1-6-11(3,4)10(13-7-2)8-9-12-5/h8-9,13H,6-7H2,1-5H3/b10-8?,12-9+
InChIKeyUCAWULBKGUYTKN-AVZJTKQCSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-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 N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine (CID 174067373) is N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine is CCNC(=C/C=N/C)C(C)(C)CC.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine?
The InChIKey is UCAWULBKGUYTKN-AVZJTKQCSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-11(3,4)10(13-7-2)8-9-12-5/h8-9,13H,6-7H2,1-5H3/b10-8?,12-9+.
What are the key properties of N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine?
N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine has a molecular weight of 182.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-methyliminohex-2-en-3-amine is sourced from PubChem (CID 174067373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).