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

C18H29N3 — CID 120853583

IUPACN-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCCN(CC1CCCNC1)C1CCCc2cccnc21
InChIInChI=1S/C18H29N3/c1-2-12-21(14-15-6-4-10-19-13-15)17-9-3-7-16-8-5-11-20-18(16)17/h5,8,11,15,17,19H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyXWCQCYQGLJYSOG-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.17
Rot. Bonds5

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

N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 120853583) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID120853583
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCCN(CC1CCCNC1)C1CCCc2cccnc21
InChIInChI=1S/C18H29N3/c1-2-12-21(14-15-6-4-10-19-13-15)17-9-3-7-16-8-5-11-20-18(16)17/h5,8,11,15,17,19H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyXWCQCYQGLJYSOG-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 149338189
(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176457
N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525997
N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853623
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525976
(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-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
N'-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 57343965
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 120853583) is N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine is CCCN(CC1CCCNC1)C1CCCc2cccnc21.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is XWCQCYQGLJYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-12-21(14-15-6-4-10-19-13-15)17-9-3-7-16-8-5-11-20-18(16)17/h5,8,11,15,17,19H,2-4,6-7,9-10,12-14H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 287.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 120853583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).