N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine

C10H16N2 — CID 156649479

IUPACN-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine
SMILESCNN1CCC2=C(C=CCC2)C1
InChIInChI=1S/C10H16N2/c1-11-12-7-6-9-4-2-3-5-10(9)8-12/h3,5,11H,2,4,6-8H2,1H3
InChIKeyZFYZXCJOUXQGOO-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.47
Rot. Bonds1

About N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine

N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine (PubChem CID 156649479) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine
PubChem CID156649479
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine
SMILESCNN1CCC2=C(C=CCC2)C1
InChIInChI=1S/C10H16N2/c1-11-12-7-6-9-4-2-3-5-10(9)8-12/h3,5,11H,2,4,6-8H2,1H3
InChIKeyZFYZXCJOUXQGOO-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine
CID 123255221
1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E)-2-ethylidenepentyl]-2-[(2E)-2-propan-2-ylpenta-2,4-dienyl]hydrazine
CID 139542181
1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E)-2-ethylidenepentyl]-2-[(2E)-2-ethylpenta-2,4-dienyl]hydrazine
CID 139542240
2-(Cyclohexa-1,3-dien-1-ylmethyl)-1,1-dimethylhydrazine
CID 142113090
Ethane;1,2,3,4,5,6-hexahydroisoquinoline
CID 144386194
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine
CID 145274791
(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidin-1-amine
CID 155274821
1-[(3E,5Z)-3-ethyl-4-methylocta-3,5-dienyl]-1,2-dimethylhydrazine
CID 156423888
(4-Propyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)azanide
CID 164142116
4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridin-1-amine;ethane
CID 171627361
2-(Cyclohexen-1-ylmethyl)-1,1-dimethylhydrazine
CID 101195809
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine
CID 145274792

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine?
The IUPAC name of N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine (CID 156649479) is N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine.
What is the SMILES notation for N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine?
The canonical SMILES for N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine is CNN1CCC2=C(C=CCC2)C1.
What is the InChIKey of N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine?
The InChIKey is ZFYZXCJOUXQGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-12-7-6-9-4-2-3-5-10(9)8-12/h3,5,11H,2,4,6-8H2,1H3.
What are the key properties of N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine?
N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine has a molecular weight of 164.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-amine is sourced from PubChem (CID 156649479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).