N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C19H31N3 — CID 120853623

IUPACN-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)CN(CC1CCNCC1)C1CCCc2cccnc21
InChIInChI=1S/C19H31N3/c1-15(2)13-22(14-16-8-11-20-12-9-16)18-7-3-5-17-6-4-10-21-19(17)18/h4,6,10,15-16,18,20H,3,5,7-9,11-14H2,1-2H3
InChIKeyMTJIYZQOTHUOQR-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.42
Rot. Bonds5

About N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 120853623) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID120853623
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC NameN-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)CN(CC1CCNCC1)C1CCCc2cccnc21
InChIInChI=1S/C19H31N3/c1-15(2)13-22(14-16-8-11-20-12-9-16)18-7-3-5-17-6-4-10-21-19(17)18/h4,6,10,15-16,18,20H,3,5,7-9,11-14H2,1-2H3
InChIKeyMTJIYZQOTHUOQR-UHFFFAOYSA-N
XLogP3.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.42
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
5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904819
(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 149338189
(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-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 146138623
(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176457
4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
CID 100652315
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250220
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 120853623) is N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is CC(C)CN(CC1CCNCC1)C1CCCc2cccnc21.
What is the InChIKey of N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MTJIYZQOTHUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-15(2)13-22(14-16-8-11-20-12-9-16)18-7-3-5-17-6-4-10-21-19(17)18/h4,6,10,15-16,18,20H,3,5,7-9,11-14H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 301.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 120853623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).