2-[chloro(methyl)amino]-2-methylbutanamide

C6H13ClN2O — CID 131185757

IUPAC2-[chloro(methyl)amino]-2-methylbutanamide
SMILESCCC(C)(C(N)=O)N(C)Cl
InChIInChI=1S/C6H13ClN2O/c1-4-6(2,5(8)10)9(3)7/h4H2,1-3H3,(H2,8,10)
InChIKeyVFRIMNAZFFRFDP-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.73
Rot. Bonds3

About 2-[chloro(methyl)amino]-2-methylbutanamide

2-[chloro(methyl)amino]-2-methylbutanamide (PubChem CID 131185757) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 2-[chloro(methyl)amino]-2-methylbutanamide.

Molecular Properties

Compound Name2-[chloro(methyl)amino]-2-methylbutanamide
PubChem CID131185757
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name2-[chloro(methyl)amino]-2-methylbutanamide
SMILESCCC(C)(C(N)=O)N(C)Cl
InChIInChI=1S/C6H13ClN2O/c1-4-6(2,5(8)10)9(3)7/h4H2,1-3H3,(H2,8,10)
InChIKeyVFRIMNAZFFRFDP-UHFFFAOYSA-N
XLogP0.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(15N)azanyl-2-methylbutanamide
CID 10844374
2,2-dihydroxybutanamide
CID 22465138
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
(4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one
CID 163846175
CID 175912914
CID 175912914
2-(dimethylamino)-2-methylpropanamide
CID 21409863
3-(dimethylamino)-3-methyl-2-methylidenepentanoic acid
CID 54416326
[(2S)-2-(dimethylamino)butan-2-yl] carbamate
CID 140545374
3-amino-3-methylpentanoyl chloride;hydrochloride
CID 18372009
2-ethyl-2-methylpentanamide
CID 22376566
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
CID 143623882

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(methyl)amino]-2-methylbutanamide?
The IUPAC name of 2-[chloro(methyl)amino]-2-methylbutanamide (CID 131185757) is 2-[chloro(methyl)amino]-2-methylbutanamide.
What is the SMILES notation for 2-[chloro(methyl)amino]-2-methylbutanamide?
The canonical SMILES for 2-[chloro(methyl)amino]-2-methylbutanamide is CCC(C)(C(N)=O)N(C)Cl.
What is the InChIKey of 2-[chloro(methyl)amino]-2-methylbutanamide?
The InChIKey is VFRIMNAZFFRFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O/c1-4-6(2,5(8)10)9(3)7/h4H2,1-3H3,(H2,8,10).
What are the key properties of 2-[chloro(methyl)amino]-2-methylbutanamide?
2-[chloro(methyl)amino]-2-methylbutanamide has a molecular weight of 164.64 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(methyl)amino]-2-methylbutanamide is sourced from PubChem (CID 131185757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).