N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine

C13H20N2 — CID 80648504

IUPACN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cccc2c1NCCC2
InChIInChI=1S/C13H20N2/c1-10(2)15-9-12-6-3-5-11-7-4-8-14-13(11)12/h3,5-6,10,14-15H,4,7-9H2,1-2H3
InChIKeyXMKXIXXAGXXYOI-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.54
Rot. Bonds3

About N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine (PubChem CID 80648504) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
PubChem CID80648504
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cccc2c1NCCC2
InChIInChI=1S/C13H20N2/c1-10(2)15-9-12-6-3-5-11-7-4-8-14-13(11)12/h3,5-6,10,14-15H,4,7-9H2,1-2H3
InChIKeyXMKXIXXAGXXYOI-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
CID 80649071
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669
(1R)-1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81351706
(1R)-1-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81401362
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate
CID 80650294
1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine
CID 80649851
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
CID 81423829
1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
CID 81423411

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine (CID 80648504) is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine is CC(C)NCc1cccc2c1NCCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine?
The InChIKey is XMKXIXXAGXXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)15-9-12-6-3-5-11-7-4-8-14-13(11)12/h3,5-6,10,14-15H,4,7-9H2,1-2H3.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine?
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine has a molecular weight of 204.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine is sourced from PubChem (CID 80648504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).