3,3-dimethyl-N-[3-(methylamino)propyl]butanamide

C10H22N2O — CID 43600677

IUPAC3,3-dimethyl-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C10H22N2O/c1-10(2,3)8-9(13)12-7-5-6-11-4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyJUDAEXQJWHJVBV-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.15
Rot. Bonds5

About 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide

3,3-dimethyl-N-[3-(methylamino)propyl]butanamide (PubChem CID 43600677) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(methylamino)propyl]butanamide
PubChem CID43600677
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3,3-dimethyl-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C10H22N2O/c1-10(2,3)8-9(13)12-7-5-6-11-4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyJUDAEXQJWHJVBV-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N-butylbutanamide
CID 347960
Butanamide, N-(2-methylpropyl)-
CID 346250
N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
N(1)-acetylspermidinium(2+)
CID 25203502
N-[4-(butanoylamino)butyl]butanamide
CID 2166864
N,N'-bis(3-methylbutyl)propanediamide
CID 2396523
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
C3-Amide-C4-NH2
CID 14484861
N-(3-Methylbutyl)propanamide
CID 5152799
Butanamide, 3-methyl-N-propyl
CID 528603

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide (CID 43600677) is 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide is CNCCCNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide?
The InChIKey is JUDAEXQJWHJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)8-9(13)12-7-5-6-11-4/h11H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide?
3,3-dimethyl-N-[3-(methylamino)propyl]butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(methylamino)propyl]butanamide is sourced from PubChem (CID 43600677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).