6-methyl-2-(methylamino)heptanoic acid

C9H19NO2 — CID 91290146

IUPAC6-methyl-2-(methylamino)heptanoic acid
SMILESCNC(CCCC(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-7(2)5-4-6-8(10-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyDGPVICVRLGFDHW-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.49
Rot. Bonds6

About 6-methyl-2-(methylamino)heptanoic acid

6-methyl-2-(methylamino)heptanoic acid (PubChem CID 91290146) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)heptanoic acid.

Molecular Properties

Compound Name6-methyl-2-(methylamino)heptanoic acid
PubChem CID91290146
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name6-methyl-2-(methylamino)heptanoic acid
SMILESCNC(CCCC(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-7(2)5-4-6-8(10-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyDGPVICVRLGFDHW-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-5-(propan-2-ylamino)pentanoic acid
CID 168758875
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid
CID 87407162
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
2,11-dimethyldodecanoic acid
CID 22251841
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2,9-dimethyldecanoic acid
CID 22251838
5-amino-2-(methylamino)hexanoic acid
CID 139342913
(2S)-6-[[(2S)-2-hydroxypropanoyl]amino]-2-(methylamino)hexanoic acid
CID 169025304
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid
CID 55143158
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)heptanoic acid?
The IUPAC name of 6-methyl-2-(methylamino)heptanoic acid (CID 91290146) is 6-methyl-2-(methylamino)heptanoic acid.
What is the SMILES notation for 6-methyl-2-(methylamino)heptanoic acid?
The canonical SMILES for 6-methyl-2-(methylamino)heptanoic acid is CNC(CCCC(C)C)C(=O)O.
What is the InChIKey of 6-methyl-2-(methylamino)heptanoic acid?
The InChIKey is DGPVICVRLGFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)5-4-6-8(10-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 6-methyl-2-(methylamino)heptanoic acid?
6-methyl-2-(methylamino)heptanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)heptanoic acid is sourced from PubChem (CID 91290146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).