3,4,6,7-tetrahydro-1H-isoquinolin-2-amine

C9H14N2 — CID 142115083

IUPAC3,4,6,7-tetrahydro-1H-isoquinolin-2-amine
SMILESNN1CCC2=CCCC=C2C1
InChIInChI=1S/C9H14N2/c10-11-6-5-8-3-1-2-4-9(8)7-11/h3-4H,1-2,5-7,10H2
InChIKeyQPFPZIXIHKNFAA-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.21
Rot. Bonds

About 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine

3,4,6,7-tetrahydro-1H-isoquinolin-2-amine (PubChem CID 142115083) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine.

Molecular Properties

Compound Name3,4,6,7-tetrahydro-1H-isoquinolin-2-amine
PubChem CID142115083
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name3,4,6,7-tetrahydro-1H-isoquinolin-2-amine
SMILESNN1CCC2=CCCC=C2C1
InChIInChI=1S/C9H14N2/c10-11-6-5-8-3-1-2-4-9(8)7-11/h3-4H,1-2,5-7,10H2
InChIKeyQPFPZIXIHKNFAA-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

3,4,4a,5-tetrahydro-1H-isoquinolin-2-amine
CID 67114288
3,4,5,6-tetrahydro-2H-quinolin-1-amine
CID 88988157
3,4,6,7-tetrahydro-1H-2,7-naphthyridin-2-amine
CID 121367105
5,6,7,8-tetrahydro-2H-quinolin-1-amine
CID 139834031
1,3,4,5-Tetrahydroisoindol-2-amine
CID 144480973
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
(3Z)-3-[4-(diethylamino)butylidene]piperidin-1-amine
CID 173884940
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine
CID 145274792

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine?
The IUPAC name of 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine (CID 142115083) is 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine.
What is the SMILES notation for 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine?
The canonical SMILES for 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine is NN1CCC2=CCCC=C2C1.
What is the InChIKey of 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine?
The InChIKey is QPFPZIXIHKNFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-11-6-5-8-3-1-2-4-9(8)7-11/h3-4H,1-2,5-7,10H2.
What are the key properties of 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine?
3,4,6,7-tetrahydro-1H-isoquinolin-2-amine has a molecular weight of 150.23 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydro-1H-isoquinolin-2-amine is sourced from PubChem (CID 142115083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).