methyl 6-methyl-4-(methylamino)heptanoate

C10H21NO2 — CID 116955487

IUPACmethyl 6-methyl-4-(methylamino)heptanoate
SMILESCNC(CCC(=O)OC)CC(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)7-9(11-3)5-6-10(12)13-4/h8-9,11H,5-7H2,1-4H3
InChIKeyRHWJBCFGFAWAJH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds6

About methyl 6-methyl-4-(methylamino)heptanoate

methyl 6-methyl-4-(methylamino)heptanoate (PubChem CID 116955487) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 6-methyl-4-(methylamino)heptanoate.

Molecular Properties

Compound Namemethyl 6-methyl-4-(methylamino)heptanoate
PubChem CID116955487
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 6-methyl-4-(methylamino)heptanoate
SMILESCNC(CCC(=O)OC)CC(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)7-9(11-3)5-6-10(12)13-4/h8-9,11H,5-7H2,1-4H3
InChIKeyRHWJBCFGFAWAJH-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(methylamino)heptanoic acid
CID 112517667
methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139
dimethyl 4-methylheptanedioate
CID 521222
1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
methyl 21-methyldocosanoate
CID 14178788
methyl 4,11-dimethyldodecanoate
CID 139586473
methyl (4S)-4,13-dimethyltetradecanoate
CID 169491618
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
methyl (4S)-5-hydroxy-4-methylpentanoate
CID 162445793
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 122173679

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-(methylamino)heptanoate?
The IUPAC name of methyl 6-methyl-4-(methylamino)heptanoate (CID 116955487) is methyl 6-methyl-4-(methylamino)heptanoate.
What is the SMILES notation for methyl 6-methyl-4-(methylamino)heptanoate?
The canonical SMILES for methyl 6-methyl-4-(methylamino)heptanoate is CNC(CCC(=O)OC)CC(C)C.
What is the InChIKey of methyl 6-methyl-4-(methylamino)heptanoate?
The InChIKey is RHWJBCFGFAWAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)7-9(11-3)5-6-10(12)13-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of methyl 6-methyl-4-(methylamino)heptanoate?
methyl 6-methyl-4-(methylamino)heptanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-(methylamino)heptanoate is sourced from PubChem (CID 116955487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).