4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide

C14H30N2O — CID 80544365

IUPAC4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
SMILESCCCCCC(C)(C)CNC(=O)C(C)CCN
InChIInChI=1S/C14H30N2O/c1-5-6-7-9-14(3,4)11-16-13(17)12(2)8-10-15/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyQXCNZPQRDSLWAP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.69
Rot. Bonds9

About 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide

4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide (PubChem CID 80544365) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
PubChem CID80544365
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
SMILESCCCCCC(C)(C)CNC(=O)C(C)CCN
InChIInChI=1S/C14H30N2O/c1-5-6-7-9-14(3,4)11-16-13(17)12(2)8-10-15/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyQXCNZPQRDSLWAP-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide 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

N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide
CID 106145156
4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid
CID 107567309
3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
CID 81080690
N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide
CID 114282359
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
2-(2,2-dimethylheptylamino)hexanoic acid
CID 103259108
N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
CID 106145033
methyl 2-(2,2-dimethylheptylamino)butanoate
CID 113292642

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide (CID 80544365) is 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide is CCCCCC(C)(C)CNC(=O)C(C)CCN.
What is the InChIKey of 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide?
The InChIKey is QXCNZPQRDSLWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-7-9-14(3,4)11-16-13(17)12(2)8-10-15/h12H,5-11,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide?
4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide has a molecular weight of 242.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide is sourced from PubChem (CID 80544365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).