N-(3-aminobutyl)-2,2-dimethylbutanamide

C10H22N2O — CID 63253929

IUPACN-(3-aminobutyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCC(C)N
InChIInChI=1S/C10H22N2O/c1-5-10(3,4)9(13)12-7-6-8(2)11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyQCDBLRSICVCIFF-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds5

About N-(3-aminobutyl)-2,2-dimethylbutanamide

N-(3-aminobutyl)-2,2-dimethylbutanamide (PubChem CID 63253929) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(3-aminobutyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2,2-dimethylbutanamide
PubChem CID63253929
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(3-aminobutyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCC(C)N
InChIInChI=1S/C10H22N2O/c1-5-10(3,4)9(13)12-7-6-8(2)11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyQCDBLRSICVCIFF-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromobutyl)-2,2-dimethylbutanamide
CID 114312578
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119498705
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
N-(2-aminobutyl)-2,2-dimethylbutanamide
CID 63731375
ethyl (2R)-4-(2,2-dimethylpropanoylamino)-2-methylbutanoate
CID 143719664
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872
N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide
CID 89235197
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
N-(3-aminobutyl)-3-ethylpentanamide
CID 119496661

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3-aminobutyl)-2,2-dimethylbutanamide (CID 63253929) is N-(3-aminobutyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-aminobutyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-aminobutyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-2,2-dimethylbutanamide?
The InChIKey is QCDBLRSICVCIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-10(3,4)9(13)12-7-6-8(2)11/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of N-(3-aminobutyl)-2,2-dimethylbutanamide?
N-(3-aminobutyl)-2,2-dimethylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 63253929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).