N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C17H27N3 — CID 79079118

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC1CCN(CCNC2CCCc3cccnc32)CC1
InChIInChI=1S/C17H27N3/c1-14-7-11-20(12-8-14)13-10-18-16-6-2-4-15-5-3-9-19-17(15)16/h3,5,9,14,16,18H,2,4,6-8,10-13H2,1H3
InChIKeyWXJNHWLGTQLCAI-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79079118) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79079118
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC1CCN(CCNC2CCCc3cccnc32)CC1
InChIInChI=1S/C17H27N3/c1-14-7-11-20(12-8-14)13-10-18-16-6-2-4-15-5-3-9-19-17(15)16/h3,5,9,14,16,18H,2,4,6-8,10-13H2,1H3
InChIKeyWXJNHWLGTQLCAI-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 80682877
N-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63455441
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 79079118) is N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is CC1CCN(CCNC2CCCc3cccnc32)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is WXJNHWLGTQLCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-7-11-20(12-8-14)13-10-18-16-6-2-4-15-5-3-9-19-17(15)16/h3,5,9,14,16,18H,2,4,6-8,10-13H2,1H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 273.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79079118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).