(3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide

C9H18N2O2 — CID 144507791

IUPAC(3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide
SMILESCNC[C@@H](CC(=O)N=O)CC(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)4-8(6-10-3)5-9(12)11-13/h7-8,10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyUGDVWQRROYSNSM-MRVPVSSYSA-N
MW186.25 g/mol
LogP1.55
Rot. Bonds6

About (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide

(3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide (PubChem CID 144507791) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide.

Molecular Properties

Compound Name(3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide
PubChem CID144507791
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide
SMILESCNC[C@@H](CC(=O)N=O)CC(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)4-8(6-10-3)5-9(12)11-13/h7-8,10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyUGDVWQRROYSNSM-MRVPVSSYSA-N
XLogP1.55
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid
CID 22627126
N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62529508
(3S)-5-methyl-3-[[3-(methylamino)propanoylamino]methyl]hexanoic acid
CID 65494541
ethane;methyl 3-(acetamidomethyl)-5-methylhexanoate
CID 156715100
(3S)-3-methyl-N-oxopentanamide
CID 174497955
5-methyl-3-[[4-(methylamino)butanoylamino]methyl]hexanoic acid
CID 65494760
5-methyl-3-[(2-methylpropanoylamino)methyl]hexanoic acid
CID 65492879
N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
CID 62528910
5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid
CID 114958931
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
ethane;3-ethyl-N,5-dimethylhexanamide
CID 177048526

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide?
The IUPAC name of (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide (CID 144507791) is (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide.
What is the SMILES notation for (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide?
The canonical SMILES for (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide is CNC[C@@H](CC(=O)N=O)CC(C)C.
What is the InChIKey of (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide?
The InChIKey is UGDVWQRROYSNSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)4-8(6-10-3)5-9(12)11-13/h7-8,10H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide?
(3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide has a molecular weight of 186.25 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide is sourced from PubChem (CID 144507791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).