4,4-dimethyl-N-(3-methylbutyl)pentanamide

C12H25NO — CID 135139773

IUPAC4,4-dimethyl-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(2)7-9-13-11(14)6-8-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyCSYSXCIREZDBTQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.97
Rot. Bonds5

About 4,4-dimethyl-N-(3-methylbutyl)pentanamide

4,4-dimethyl-N-(3-methylbutyl)pentanamide (PubChem CID 135139773) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,4-dimethyl-N-(3-methylbutyl)pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(3-methylbutyl)pentanamide
PubChem CID135139773
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4,4-dimethyl-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(2)7-9-13-11(14)6-8-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyCSYSXCIREZDBTQ-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-N-(3-methylbutyl)hexanamide
CID 162526519
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 24689253
N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
CID 130469220
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(3-methylbutyl)pentanamide?
The IUPAC name of 4,4-dimethyl-N-(3-methylbutyl)pentanamide (CID 135139773) is 4,4-dimethyl-N-(3-methylbutyl)pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-(3-methylbutyl)pentanamide?
The canonical SMILES for 4,4-dimethyl-N-(3-methylbutyl)pentanamide is CC(C)CCNC(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-(3-methylbutyl)pentanamide?
The InChIKey is CSYSXCIREZDBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)7-9-13-11(14)6-8-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-(3-methylbutyl)pentanamide?
4,4-dimethyl-N-(3-methylbutyl)pentanamide has a molecular weight of 199.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(3-methylbutyl)pentanamide is sourced from PubChem (CID 135139773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).