N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide

C13H28N2O2 — CID 106140831

IUPACN-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)NCC(C)(C)CCCN
InChIInChI=1S/C13H28N2O2/c1-11(9-17-4)8-12(16)15-10-13(2,3)6-5-7-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyLBWMSVJKWGGDES-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.54
Rot. Bonds9

About N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide

N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide (PubChem CID 106140831) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
PubChem CID106140831
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)NCC(C)(C)CCCN
InChIInChI=1S/C13H28N2O2/c1-11(9-17-4)8-12(16)15-10-13(2,3)6-5-7-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyLBWMSVJKWGGDES-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-methoxy-3-methylbutanamide
CID 81482511
N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide
CID 106140134
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
N-(5-amino-2,2-dimethylpentyl)-2-methoxy-2-methylpropanamide
CID 106140447
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
CID 114124548
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylpropanamide
CID 106140502
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
CID 106116087
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide (CID 106140831) is N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)NCC(C)(C)CCCN.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide?
The InChIKey is LBWMSVJKWGGDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(9-17-4)8-12(16)15-10-13(2,3)6-5-7-14/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide?
N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 106140831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).