2-amino-N,3,3-trimethylbutanamide

C7H16N2O — CID 3496445

IUPAC2-amino-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10)
InChIKeyBPKJNEIOHOEWLO-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.11
Rot. Bonds1

About 2-amino-N,3,3-trimethylbutanamide

2-amino-N,3,3-trimethylbutanamide (PubChem CID 3496445) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-amino-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N,3,3-trimethylbutanamide
PubChem CID3496445
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-amino-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10)
InChIKeyBPKJNEIOHOEWLO-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-Amino-N,3,3-trimethylbutanamide
CID 445856
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbutanamide
CID 23645890
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,3-dimethylbutanamide
CID 9861693
(2S)-2-amino-N,4-dimethylpentanamide
CID 11672684
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
(2S,3S)-2-amino-N,3-dimethylpentanamide
CID 28182566
(R)-2-Amino-N-methyl-4-methylpentanamide
CID 14284955
(2S)-2-amino-N,3-dimethylbutanamide hydrochloride
CID 20598795
(2S)-2-amino-N,N,3-trimethylbutanamide hydrochloride
CID 56831841
(2R)-2-amino-N,N,3-trimethylbutanamide hydrochloride
CID 86678922
(2S)-2-Amino-N,3,3-trimethylbutanamide hydrochloride
CID 87322856
(2R)-2-amino-N,3,3-trimethylbutanamide hydrochloride
CID 137479507

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N,3,3-trimethylbutanamide (CID 3496445) is 2-amino-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N,3,3-trimethylbutanamide is CNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N,3,3-trimethylbutanamide?
The InChIKey is BPKJNEIOHOEWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10).
What are the key properties of 2-amino-N,3,3-trimethylbutanamide?
2-amino-N,3,3-trimethylbutanamide has a molecular weight of 144.22 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3,3-trimethylbutanamide is sourced from PubChem (CID 3496445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).