2-amino-N,3,3-trimethylbutanamide;hydrochloride

C7H17ClN2O — CID 22129480

IUPAC2-amino-N,3,3-trimethylbutanamide;hydrochloride
SMILESCNC(=O)C(N)C(C)(C)C.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-7(2,3)5(8)6(10)9-4;/h5H,8H2,1-4H3,(H,9,10);1H
InChIKeyMKINSHAGISCSSV-UHFFFAOYSA-N
MW180.68 g/mol
LogP0.53
Rot. Bonds1

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

2-amino-N,3,3-trimethylbutanamide;hydrochloride (PubChem CID 22129480) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is 2-amino-N,3,3-trimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,3,3-trimethylbutanamide;hydrochloride
PubChem CID22129480
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name2-amino-N,3,3-trimethylbutanamide;hydrochloride
SMILESCNC(=O)C(N)C(C)(C)C.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-7(2,3)5(8)6(10)9-4;/h5H,8H2,1-4H3,(H,9,10);1H
InChIKeyMKINSHAGISCSSV-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-hydroxy-3,3-dimethylbutanamide
CID 63992597
(2S)-2-amino-N',3,3-trimethylbutanehydrazide
CID 89289815
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119736012
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 61154008
(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide
CID 64974712
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3,3-trimethylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N,3,3-trimethylbutanamide;hydrochloride (CID 22129480) is 2-amino-N,3,3-trimethylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,3,3-trimethylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N,3,3-trimethylbutanamide;hydrochloride is CNC(=O)C(N)C(C)(C)C.Cl.
What is the InChIKey of 2-amino-N,3,3-trimethylbutanamide;hydrochloride?
The InChIKey is MKINSHAGISCSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-7(2,3)5(8)6(10)9-4;/h5H,8H2,1-4H3,(H,9,10);1H.
What are the key properties of 2-amino-N,3,3-trimethylbutanamide;hydrochloride?
2-amino-N,3,3-trimethylbutanamide;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.53, 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;hydrochloride is sourced from PubChem (CID 22129480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).