N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane

C17H40N2O — CID 143195893

IUPACN-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane
SMILESCC.CC.CCCCC(=O)N(C)CC(NC)C(C)(C)C
InChIInChI=1S/C13H28N2O.2C2H6/c1-7-8-9-12(16)15(6)10-11(14-5)13(2,3)4;2*1-2/h11,14H,7-10H2,1-6H3;2*1-2H3
InChIKeyJGECVNUMERENRZ-UHFFFAOYSA-N
MW288.52 g/mol
LogP4.32
Rot. Bonds6

About N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane

N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane (PubChem CID 143195893) has the molecular formula C17H40N2O and a molecular weight of 288.52 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane
PubChem CID143195893
Molecular FormulaC17H40N2O
Molecular Weight288.52 g/mol
Exact Mass288.31
IUPAC NameN-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane
SMILESCC.CC.CCCCC(=O)N(C)CC(NC)C(C)(C)C
InChIInChI=1S/C13H28N2O.2C2H6/c1-7-8-9-12(16)15(6)10-11(14-5)13(2,3)4;2*1-2/h11,14H,7-10H2,1-6H3;2*1-2H3
InChIKeyJGECVNUMERENRZ-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane
CID 143105338
N-(2-bromopropyl)-N-methylpentanamide
CID 80666538
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
N-(2-ethyl-2-methylbutyl)-N-methylpentanamide
CID 91117087
N-(2-chloropropyl)-N-methylhexanamide
CID 63394168
N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide
CID 143195947
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane?
The IUPAC name of N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane (CID 143195893) is N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane.
What is the SMILES notation for N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane?
The canonical SMILES for N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane is CC.CC.CCCCC(=O)N(C)CC(NC)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane?
The InChIKey is JGECVNUMERENRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.2C2H6/c1-7-8-9-12(16)15(6)10-11(14-5)13(2,3)4;2*1-2/h11,14H,7-10H2,1-6H3;2*1-2H3.
What are the key properties of N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane?
N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane has a molecular weight of 288.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-(methylamino)butyl]-N-methylpentanamide;ethane is sourced from PubChem (CID 143195893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).