(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C16H25N3 — CID 149338189

IUPAC(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(CC1CCCNC1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C16H25N3/c1-19(12-13-5-3-9-17-11-13)15-8-2-6-14-7-4-10-18-16(14)15/h4,7,10,13,15,17H,2-3,5-6,8-9,11-12H2,1H3/t13?,15-/m0/s1
InChIKeyYDQRPQFPYZFMOE-WUJWULDRSA-N
MW259.40 g/mol
LogP2.39
Rot. Bonds3

About (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 149338189) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID149338189
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(CC1CCCNC1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C16H25N3/c1-19(12-13-5-3-9-17-11-13)15-8-2-6-14-7-4-10-18-16(14)15/h4,7,10,13,15,17H,2-3,5-6,8-9,11-12H2,1H3/t13?,15-/m0/s1
InChIKeyYDQRPQFPYZFMOE-WUJWULDRSA-N
XLogP2.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853583
(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176457
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853623
N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525997
(8S)-N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 69248604
N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525976
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide
CID 106630898
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N-methyl-N-[[(3R)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398708

Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 149338189) is (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is CN(CC1CCCNC1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is YDQRPQFPYZFMOE-WUJWULDRSA-N. The full InChI is InChI=1S/C16H25N3/c1-19(12-13-5-3-9-17-11-13)15-8-2-6-14-7-4-10-18-16(14)15/h4,7,10,13,15,17H,2-3,5-6,8-9,11-12H2,1H3/t13?,15-/m0/s1.
What are the key properties of (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 259.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 149338189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).