N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide

C16H34N2O — CID 134441338

IUPACN-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCCCCNCC(C)(C)C
InChIInChI=1S/C16H34N2O/c1-14(2)12-15(19)18-11-9-7-6-8-10-17-13-16(3,4)5/h14,17H,6-13H2,1-5H3,(H,18,19)
InChIKeyXOJPBZNCYIKQIX-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.34
Rot. Bonds10

About N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide

N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide (PubChem CID 134441338) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
PubChem CID134441338
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCCCCNCC(C)(C)C
InChIInChI=1S/C16H34N2O/c1-14(2)12-15(19)18-11-9-7-6-8-10-17-13-16(3,4)5/h14,17H,6-13H2,1-5H3,(H,18,19)
InChIKeyXOJPBZNCYIKQIX-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.34
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

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
CID 168958672
N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide
CID 158833418
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
ethane;3-methyl-N-nonylbutanamide;prop-1-ene
CID 170638874
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
1-(2,2-dimethylpropyl)-3-(6-methylheptyl)urea
CID 156566869

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide?
The IUPAC name of N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide (CID 134441338) is N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide?
The canonical SMILES for N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide is CC(C)CC(=O)NCCCCCCNCC(C)(C)C.
What is the InChIKey of N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide?
The InChIKey is XOJPBZNCYIKQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)12-15(19)18-11-9-7-6-8-10-17-13-16(3,4)5/h14,17H,6-13H2,1-5H3,(H,18,19).
What are the key properties of N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide?
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide has a molecular weight of 270.46 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide is sourced from PubChem (CID 134441338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).