N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide

C17H32N2O2 — CID 143714330

IUPACN'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide
SMILESC/C=C/CC(C)(C)CNC(=O)C(C)(C)CC(C)(C)C(N)=O
InChIInChI=1S/C17H32N2O2/c1-8-9-10-15(2,3)12-19-14(21)17(6,7)11-16(4,5)13(18)20/h8-9H,10-12H2,1-7H3,(H2,18,20)(H,19,21)/b9-8+
InChIKeyHJUSTSMLJWGZMN-CMDGGOBGSA-N
MW296.45 g/mol
LogP3.02
Rot. Bonds8

About N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide

N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide (PubChem CID 143714330) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide.

Molecular Properties

Compound NameN'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide
PubChem CID143714330
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide
SMILESC/C=C/CC(C)(C)CNC(=O)C(C)(C)CC(C)(C)C(N)=O
InChIInChI=1S/C17H32N2O2/c1-8-9-10-15(2,3)12-19-14(21)17(6,7)11-16(4,5)13(18)20/h8-9H,10-12H2,1-7H3,(H2,18,20)(H,19,21)/b9-8+
InChIKeyHJUSTSMLJWGZMN-CMDGGOBGSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518
2,2,4,4-tetramethyl-6-oxohexanamide
CID 176713396
3,3-dimethylhept-5-enoic acid
CID 91004429
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2,3-trimethylbutanamide
CID 114167258
2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide
CID 178052138
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106277356
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
CID 106140383
5-[amino(methyl)amino]-2,2,4,4-tetramethylpentanamide
CID 155400358
2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588
diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium
CID 145315282
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide?
The IUPAC name of N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide (CID 143714330) is N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide.
What is the SMILES notation for N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide?
The canonical SMILES for N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide is C/C=C/CC(C)(C)CNC(=O)C(C)(C)CC(C)(C)C(N)=O.
What is the InChIKey of N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide?
The InChIKey is HJUSTSMLJWGZMN-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-8-9-10-15(2,3)12-19-14(21)17(6,7)11-16(4,5)13(18)20/h8-9H,10-12H2,1-7H3,(H2,18,20)(H,19,21)/b9-8+.
What are the key properties of N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide?
N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide has a molecular weight of 296.45 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide is sourced from PubChem (CID 143714330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).