3-(dimethylamino)heptanoic acid

C9H19NO2 — CID 64527773

IUPAC3-(dimethylamino)heptanoic acid
SMILESCCCCC(CC(=O)O)N(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-6-8(10(2)3)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyYHDCBFFAALQLHU-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds6

About 3-(dimethylamino)heptanoic acid

3-(dimethylamino)heptanoic acid (PubChem CID 64527773) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(dimethylamino)heptanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)heptanoic acid
PubChem CID64527773
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(dimethylamino)heptanoic acid
SMILESCCCCC(CC(=O)O)N(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-6-8(10(2)3)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyYHDCBFFAALQLHU-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)hexanoic acid
CID 64527574
propyl 3-(dimethylamino)dodecanoate
CID 174840003
N,N-dimethylicosan-5-amine
CID 19862397
3-[acetyl(butyl)amino]pentanoic acid
CID 87789164
3-(didecylamino)hexanoic acid
CID 101314409
3-[di(tricosyl)amino]hexanoic acid
CID 101314733
2-[carboxymethyl(heptan-3-yl)amino]acetic acid
CID 65065837
N,N-dimethylhenicosan-3-amine;2-hydroxypropanoic acid
CID 174779715
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
3-[decanoyl-[3-(dimethylamino)propyl]amino]dodecanoic acid
CID 169107453
tributyl(carboxymethyl)phosphanium;hydrochloride
CID 87779051

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)heptanoic acid?
The IUPAC name of 3-(dimethylamino)heptanoic acid (CID 64527773) is 3-(dimethylamino)heptanoic acid.
What is the SMILES notation for 3-(dimethylamino)heptanoic acid?
The canonical SMILES for 3-(dimethylamino)heptanoic acid is CCCCC(CC(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)heptanoic acid?
The InChIKey is YHDCBFFAALQLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-6-8(10(2)3)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 3-(dimethylamino)heptanoic acid?
3-(dimethylamino)heptanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)heptanoic acid is sourced from PubChem (CID 64527773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).