N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide

C13H28N2O — CID 115271206

IUPACN-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
SMILESCNCC(C)(C)CNC(=O)CCC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-12(2,3)8-7-11(16)15-10-13(4,5)9-14-6/h14H,7-10H2,1-6H3,(H,15,16)
InChIKeyYIXHYCLCSZZTPN-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.17
Rot. Bonds6

About N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide

N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide (PubChem CID 115271206) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
PubChem CID115271206
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
SMILESCNCC(C)(C)CNC(=O)CCC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-12(2,3)8-7-11(16)15-10-13(4,5)9-14-6/h14H,7-10H2,1-6H3,(H,15,16)
InChIKeyYIXHYCLCSZZTPN-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
CID 4135025
methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
CID 115267316
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide (CID 115271206) is N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide is CNCC(C)(C)CNC(=O)CCC(C)(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide?
The InChIKey is YIXHYCLCSZZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2,3)8-7-11(16)15-10-13(4,5)9-14-6/h14H,7-10H2,1-6H3,(H,15,16).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide?
N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 115271206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).