3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide

C16H34N2O — CID 65269830

IUPAC3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
SMILESCC(C)CCCCCCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H34N2O/c1-13(2)11-9-7-8-10-12-18-14(19)15(3,4)16(5,6)17/h13H,7-12,17H2,1-6H3,(H,18,19)
InChIKeyRIXFJQMRFRMLEM-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.47
Rot. Bonds9

About 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide

3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide (PubChem CID 65269830) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
PubChem CID65269830
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
SMILESCC(C)CCCCCCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H34N2O/c1-13(2)11-9-7-8-10-12-18-14(19)15(3,4)16(5,6)17/h13H,7-12,17H2,1-6H3,(H,18,19)
InChIKeyRIXFJQMRFRMLEM-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide 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

3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide
CID 170026598
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-carbamothioyl-3-methyl-N-(7-methyloctyl)butanamide
CID 107815236
3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
CID 107815634
1-(2,2-dimethylpropyl)-3-(6-methylheptyl)urea
CID 156566869
1-methyl-3-(7-methyloctyl)urea
CID 71899901

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide (CID 65269830) is 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide is CC(C)CCCCCCNC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide?
The InChIKey is RIXFJQMRFRMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)11-9-7-8-10-12-18-14(19)15(3,4)16(5,6)17/h13H,7-12,17H2,1-6H3,(H,18,19).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide?
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide has a molecular weight of 270.46 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide is sourced from PubChem (CID 65269830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).