4-(dimethylamino)-2-methylbutanamide;hydrochloride

C7H17ClN2O — CID 143130107

IUPAC4-(dimethylamino)-2-methylbutanamide;hydrochloride
SMILESCC(CCN(C)C)C(N)=O.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-6(7(8)10)4-5-9(2)3;/h6H,4-5H2,1-3H3,(H2,8,10);1H
InChIKeyUDHSNLNRSYLKJL-UHFFFAOYSA-N
MW180.68 g/mol
LogP0.48
Rot. Bonds4

About 4-(dimethylamino)-2-methylbutanamide;hydrochloride

4-(dimethylamino)-2-methylbutanamide;hydrochloride (PubChem CID 143130107) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylbutanamide;hydrochloride
PubChem CID143130107
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name4-(dimethylamino)-2-methylbutanamide;hydrochloride
SMILESCC(CCN(C)C)C(N)=O.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-6(7(8)10)4-5-9(2)3;/h6H,4-5H2,1-3H3,(H2,8,10);1H
InChIKeyUDHSNLNRSYLKJL-UHFFFAOYSA-N
XLogP0.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane
CID 175267118
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
(2S)-4-amino-2-methylbutanamide
CID 87412339
(2S)-2-methyl-5-sulfanylpentanamide
CID 173149777
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63053033
5-amino-2-methylhexanamide
CID 71433088
2-methylpentanediamide
CID 19688970
4-bromo-2-methylbutanamide
CID 57350656
(2R)-2-methylpentanediamide
CID 90202517
1-[4-(dimethylamino)butan-2-yl]-1-methylurea;molecular hydrogen
CID 145235896
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813
(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride
CID 87369953

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylbutanamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-2-methylbutanamide;hydrochloride (CID 143130107) is 4-(dimethylamino)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-2-methylbutanamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-2-methylbutanamide;hydrochloride is CC(CCN(C)C)C(N)=O.Cl.
What is the InChIKey of 4-(dimethylamino)-2-methylbutanamide;hydrochloride?
The InChIKey is UDHSNLNRSYLKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-6(7(8)10)4-5-9(2)3;/h6H,4-5H2,1-3H3,(H2,8,10);1H.
What are the key properties of 4-(dimethylamino)-2-methylbutanamide;hydrochloride?
4-(dimethylamino)-2-methylbutanamide;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 143130107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).