2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide

C10H22N2O — CID 81478398

IUPAC2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
SMILESCCC(C)C(=O)NCC(C)CNC
InChIInChI=1S/C10H22N2O/c1-5-9(3)10(13)12-7-8(2)6-11-4/h8-9,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyMDYMJFKGSGJSOL-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.00
Rot. Bonds6

About 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide

2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide (PubChem CID 81478398) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
PubChem CID81478398
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
SMILESCCC(C)C(=O)NCC(C)CNC
InChIInChI=1S/C10H22N2O/c1-5-9(3)10(13)12-7-8(2)6-11-4/h8-9,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyMDYMJFKGSGJSOL-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide
CID 170390778
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
CID 103811142
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
N-[2-methyl-3-(methylamino)propyl]pentanamide
CID 81479545
ethane;N-ethyl-2-methylbutanamide
CID 145471862
N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide
CID 118357196
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
CID 166111944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide?
The IUPAC name of 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide (CID 81478398) is 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide is CCC(C)C(=O)NCC(C)CNC.
What is the InChIKey of 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide?
The InChIKey is MDYMJFKGSGJSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-9(3)10(13)12-7-8(2)6-11-4/h8-9,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide?
2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide is sourced from PubChem (CID 81478398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).