(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine

C16H18N2 — CID 11736560

IUPAC(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1ccc(CN[C@H]2CCCc3cccnc32)cc1
InChIInChI=1S/C16H18N2/c1-2-6-13(7-3-1)12-18-15-10-4-8-14-9-5-11-17-16(14)15/h1-3,5-7,9,11,15,18H,4,8,10,12H2/t15-/m0/s1
InChIKeyRBFICQOQWHLHFA-HNNXBMFYSA-N
MW238.33 g/mol
LogP3.25
Rot. Bonds3

About (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11736560) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11736560
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1ccc(CN[C@H]2CCCc3cccnc32)cc1
InChIInChI=1S/C16H18N2/c1-2-6-13(7-3-1)12-18-15-10-4-8-14-9-5-11-17-16(14)15/h1-3,5-7,9,11,15,18H,4,8,10,12H2/t15-/m0/s1
InChIKeyRBFICQOQWHLHFA-HNNXBMFYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 59826223
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 71050435
N-[[4-(2-methoxyphenyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142661060
N-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114185955
N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 141138632
N-[[4-[(1H-pyrazol-5-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142660743
N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide
CID 10133044
[1-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]cyclopropyl]methanol
CID 113313175
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711

Frequently Asked Questions

What is the IUPAC name of (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 11736560) is (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine is c1ccc(CN[C@H]2CCCc3cccnc32)cc1.
What is the InChIKey of (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is RBFICQOQWHLHFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-13(7-3-1)12-18-15-10-4-8-14-9-5-11-17-16(14)15/h1-3,5-7,9,11,15,18H,4,8,10,12H2/t15-/m0/s1.
What are the key properties of (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 238.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11736560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).