6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride

C16H32ClNO5 — CID 171629245

IUPAC6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
SMILESCN(C)CCCOC(CCCCC(=O)O)CCCCC(=O)O.Cl
InChIInChI=1S/C16H31NO5.ClH/c1-17(2)12-7-13-22-14(8-3-5-10-15(18)19)9-4-6-11-16(20)21;/h14H,3-13H2,1-2H3,(H,18,19)(H,20,21);1H
InChIKeyHELNDJYRVLCPKM-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.04
Rot. Bonds15

About 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride

6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride (PubChem CID 171629245) has the molecular formula C16H32ClNO5 and a molecular weight of 353.89 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
PubChem CID171629245
Molecular FormulaC16H32ClNO5
Molecular Weight353.89 g/mol
Exact Mass353.20
IUPAC Name6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
SMILESCN(C)CCCOC(CCCCC(=O)O)CCCCC(=O)O.Cl
InChIInChI=1S/C16H31NO5.ClH/c1-17(2)12-7-13-22-14(8-3-5-10-15(18)19)9-4-6-11-16(20)21;/h14H,3-13H2,1-2H3,(H,18,19)(H,20,21);1H
InChIKeyHELNDJYRVLCPKM-UHFFFAOYSA-N
XLogP3.04
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[4-(dimethylamino)butoxy]heptadecanedioic acid;9-[4-(dimethylamino)butoxy]heptadecanedioyl dichloride
CID 167601961
15-tetradecoxyoctacosanoic acid
CID 123678388
8-[4-(dimethylamino)butanoyloxy]hexadecanedioic acid
CID 153294077
6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid
CID 59853376
4-pentadecan-8-yloxybutanoic acid
CID 138728813
3-heptadecan-9-yloxy-N,N-dimethylpropan-1-amine
CID 140938522
7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione
CID 171629292
undecan-6-yl 5-[4-(dimethylamino)butanoyloxy]-9-pentadecan-8-yloxynonanoate
CID 166116653
(4S)-4-[3-(dimethylamino)propoxycarbonyloxy]hexadecanoic acid
CID 125473253
N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
CID 171629250
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
9-[4-[methyl(propan-2-yl)amino]butoxy]-2-(5-methyl-2-propan-2-ylhexyl)heptadecanedioic acid
CID 175580113

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride?
The IUPAC name of 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride (CID 171629245) is 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride is CN(C)CCCOC(CCCCC(=O)O)CCCCC(=O)O.Cl.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride?
The InChIKey is HELNDJYRVLCPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO5.ClH/c1-17(2)12-7-13-22-14(8-3-5-10-15(18)19)9-4-6-11-16(20)21;/h14H,3-13H2,1-2H3,(H,18,19)(H,20,21);1H.
What are the key properties of 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride?
6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.04, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride is sourced from PubChem (CID 171629245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).