N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C16H19N3 — CID 81406455

IUPACN-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@H](NC1CCCc2cccnc21)c1cccnc1
InChIInChI=1S/C16H19N3/c1-12(14-7-3-9-17-11-14)19-15-8-2-5-13-6-4-10-18-16(13)15/h3-4,6-7,9-12,15,19H,2,5,8H2,1H3/t12-,15?/m0/s1
InChIKeyTXJKMNPCDMBVMU-SFVWDYPZSA-N
MW253.35 g/mol
LogP3.20
Rot. Bonds3

About N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 81406455) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID81406455
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@H](NC1CCCc2cccnc21)c1cccnc1
InChIInChI=1S/C16H19N3/c1-12(14-7-3-9-17-11-14)19-15-8-2-5-13-6-4-10-18-16(13)15/h3-4,6-7,9-12,15,19H,2,5,8H2,1H3/t12-,15?/m0/s1
InChIKeyTXJKMNPCDMBVMU-SFVWDYPZSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774076
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
N-[1-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 106209453
N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078990
N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81377678
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774050

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 81406455) is N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine is C[C@H](NC1CCCc2cccnc21)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is TXJKMNPCDMBVMU-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H19N3/c1-12(14-7-3-9-17-11-14)19-15-8-2-5-13-6-4-10-18-16(13)15/h3-4,6-7,9-12,15,19H,2,5,8H2,1H3/t12-,15?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 253.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 81406455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).