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

C18H24N2O2 — CID 175558824

IUPAC5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid
SMILESCC(C)(C)CCC(NCc1cccc2ncccc12)C(=O)O
InChIInChI=1S/C18H24N2O2/c1-18(2,3)10-9-16(17(21)22)20-12-13-6-4-8-15-14(13)7-5-11-19-15/h4-8,11,16,20H,9-10,12H2,1-3H3,(H,21,22)
InChIKeyLLNHLGHGHKXSRE-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.60
Rot. Bonds6

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

5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid (PubChem CID 175558824) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid
PubChem CID175558824
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid
SMILESCC(C)(C)CCC(NCc1cccc2ncccc12)C(=O)O
InChIInChI=1S/C18H24N2O2/c1-18(2,3)10-9-16(17(21)22)20-12-13-6-4-8-15-14(13)7-5-11-19-15/h4-8,11,16,20H,9-10,12H2,1-3H3,(H,21,22)
InChIKeyLLNHLGHGHKXSRE-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

Analyze 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(isoquinolin-8-ylmethylamino)-5,5-dimethylhexanoic acid
CID 167496542
(2S)-2-(isoquinolin-5-ylmethylamino)-5,5-dimethylhexanoic acid
CID 167496493
(2S)-5,5-dimethyl-2-[(1-methylindol-4-yl)methylamino]hexanoic acid
CID 167496449
5,5-dimethyl-2-[(1-methylindazol-4-yl)methylamino]hexanoic acid
CID 175558811
(2S)-2-[(1-ethylindol-4-yl)methylamino]-5,5-dimethylhexanoic acid
CID 171573417
(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485
5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid
CID 175558784
5,5-dimethyl-2-(quinolin-3-ylmethylamino)hexanoic acid
CID 175558772
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
2-(3,4-dihydro-1H-isochromen-8-ylmethylamino)-5,5-dimethylhexanoic acid
CID 174215767
propan-2-yloxy-(quinolin-5-ylmethylamino)methanol
CID 167171231
(5S)-2,2-dimethyl-5-[(1-methylindol-4-yl)methylamino]hexanedioic acid;hydrochloride
CID 175558855

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid?
The IUPAC name of 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid (CID 175558824) is 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid?
The canonical SMILES for 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid is CC(C)(C)CCC(NCc1cccc2ncccc12)C(=O)O.
What is the InChIKey of 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid?
The InChIKey is LLNHLGHGHKXSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2,3)10-9-16(17(21)22)20-12-13-6-4-8-15-14(13)7-5-11-19-15/h4-8,11,16,20H,9-10,12H2,1-3H3,(H,21,22).
What are the key properties of 5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid?
5,5-dimethyl-2-(quinolin-5-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-5-ylmethylamino)hexanoic acid is sourced from PubChem (CID 175558824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).