N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide

C12H26N2O — CID 115597362

IUPACN-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)13-8-6-11(15)14-9-7-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyULOUJCYJLNZZCG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds6

About N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide

N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide (PubChem CID 115597362) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide
PubChem CID115597362
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)13-8-6-11(15)14-9-7-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyULOUJCYJLNZZCG-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-methylbutanamide
CID 234387
N,N'-bis(3-methylbutyl)propanediamide
CID 2396523
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
Butanamide, N-butyl-3-((1-oxobutyl)amino)-
CID 3067809
3-amino-N-ethyl-2,2-dimethylpropanamide
CID 61826263
1-Amino-8-acetamido-5-azanonane
CID 72982838
Acetamide, N-(1,2,2-trimethylpropyl)-
CID 9793813
Acetamide, N-[(1R)-1,2,2-trimethylpropyl]-
CID 11116174
N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 11205812
N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide
CID 130165371
N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide
CID 163373646
3-(Fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 169259020

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide (CID 115597362) is N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is ULOUJCYJLNZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)13-8-6-11(15)14-9-7-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide?
N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 115597362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).