N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide

C12H26N2O — CID 107158412

IUPACN-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)CC(N)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2,3)7-9(13)8-14-10(15)12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15)
InChIKeyXTHFMJYPJLEPHF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds3

About N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide

N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide (PubChem CID 107158412) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
PubChem CID107158412
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)CC(N)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2,3)7-9(13)8-14-10(15)12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15)
InChIKeyXTHFMJYPJLEPHF-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
CID 107158894
1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
CID 107158915
N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
CID 107158484
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
N-(2-aminobutyl)-2,2-dimethylbutanamide
CID 63731375
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914
3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
CID 66166212
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
CID 166979510
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
CID 62667449
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide (CID 107158412) is N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide is CC(C)(C)CC(N)CNC(=O)C(C)(C)C.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide?
The InChIKey is XTHFMJYPJLEPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,3)7-9(13)8-14-10(15)12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide?
N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 107158412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).