5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid

C18H24N2O2 — CID 175558784

IUPAC5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid
SMILESCC(C)(C)CCC(NCc1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C18H24N2O2/c1-18(2,3)11-10-16(17(21)22)19-12-14-9-8-13-6-4-5-7-15(13)20-14/h4-9,16,19H,10-12H2,1-3H3,(H,21,22)
InChIKeyDMGUYPDFHNHWOY-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.60
Rot. Bonds6

About 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid

5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid (PubChem CID 175558784) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid
PubChem CID175558784
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid
SMILESCC(C)(C)CCC(NCc1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C18H24N2O2/c1-18(2,3)11-10-16(17(21)22)19-12-14-9-8-13-6-4-5-7-15(13)20-14/h4-9,16,19H,10-12H2,1-3H3,(H,21,22)
InChIKeyDMGUYPDFHNHWOY-UHFFFAOYSA-N
XLogP3.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-(quinolin-3-ylmethylamino)hexanoic acid
CID 175558772
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485
(2S)-2-(isoquinolin-5-ylmethylamino)-5,5-dimethylhexanoic acid
CID 167496493
3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid
CID 110464190
4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
CID 111467260
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid?
The IUPAC name of 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid (CID 175558784) is 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid?
The canonical SMILES for 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid is CC(C)(C)CCC(NCc1ccc2ccccc2n1)C(=O)O.
What is the InChIKey of 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid?
The InChIKey is DMGUYPDFHNHWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2,3)11-10-16(17(21)22)19-12-14-9-8-13-6-4-5-7-15(13)20-14/h4-9,16,19H,10-12H2,1-3H3,(H,21,22).
What are the key properties of 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid?
5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid has a molecular weight of 300.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid is sourced from PubChem (CID 175558784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).