N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide

C10H22N2O — CID 20588097

IUPACN-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CN(C)C
InChIInChI=1S/C10H22N2O/c1-7-10(2,3)9(13)12(6)8-11(4)5/h7-8H2,1-6H3
InChIKeyGHCIVPQIKBVVIL-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.40
Rot. Bonds4

About N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide

N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide (PubChem CID 20588097) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
PubChem CID20588097
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CN(C)C
InChIInChI=1S/C10H22N2O/c1-7-10(2,3)9(13)12(6)8-11(4)5/h7-8H2,1-6H3
InChIKeyGHCIVPQIKBVVIL-UHFFFAOYSA-N
XLogP1.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethyl)-N,2,2-trimethylbutanamide
CID 58226288
N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
CID 107202384
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
N-but-2-en-2-yl-N,2,2-trimethylbutanamide
CID 123139486
N-(2-amino-3-methoxypropyl)-N,2,2-trimethylbutanamide
CID 63754024
N-ethyl-N,2,2,4,4-pentamethylpentanamide
CID 149411745
N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 55102721
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide
CID 141489532
3,3,5,5-tetramethylheptan-4-one
CID 18520351
3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
CID 63966651

Frequently Asked Questions

What is the IUPAC name of N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide (CID 20588097) is N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)CN(C)C.
What is the InChIKey of N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is GHCIVPQIKBVVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7-10(2,3)9(13)12(6)8-11(4)5/h7-8H2,1-6H3.
What are the key properties of N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide?
N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 20588097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).