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

C14H22N2 — CID 80648821

IUPACN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cccc2c1NCCC2
InChIInChI=1S/C14H22N2/c1-3-11(2)16-10-13-7-4-6-12-8-5-9-15-14(12)13/h4,6-7,11,15-16H,3,5,8-10H2,1-2H3
InChIKeyABWMRANKTRZRAW-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.93
Rot. Bonds4

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

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine (PubChem CID 80648821) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
PubChem CID80648821
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cccc2c1NCCC2
InChIInChI=1S/C14H22N2/c1-3-11(2)16-10-13-7-4-6-12-8-5-9-15-14(12)13/h4,6-7,11,15-16H,3,5,8-10H2,1-2H3
InChIKeyABWMRANKTRZRAW-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
CID 80649071
(1R)-1-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81401362
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
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine
CID 80649851
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
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 80649684
2-ethyl-6-methyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649030

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine (CID 80648821) is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine is CCC(C)NCc1cccc2c1NCCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine?
The InChIKey is ABWMRANKTRZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-11(2)16-10-13-7-4-6-12-8-5-9-15-14(12)13/h4,6-7,11,15-16H,3,5,8-10H2,1-2H3.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine?
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.93, 4 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)butan-2-amine is sourced from PubChem (CID 80648821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).