3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine

C10H14N2 — CID 58429719

IUPAC3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine
SMILESC=C1CC2=C(CCCC2)C(N)=N1
InChIInChI=1S/C10H14N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h1-6H2,(H2,11,12)
InChIKeyNHXJOWMDEQSQPT-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.13
Rot. Bonds

About 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine

3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine (PubChem CID 58429719) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine.

Molecular Properties

Compound Name3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine
PubChem CID58429719
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine
SMILESC=C1CC2=C(CCCC2)C(N)=N1
InChIInChI=1S/C10H14N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h1-6H2,(H2,11,12)
InChIKeyNHXJOWMDEQSQPT-UHFFFAOYSA-N
XLogP2.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine?
The IUPAC name of 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine (CID 58429719) is 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine.
What is the SMILES notation for 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine?
The canonical SMILES for 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine is C=C1CC2=C(CCCC2)C(N)=N1.
What is the InChIKey of 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine?
The InChIKey is NHXJOWMDEQSQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h1-6H2,(H2,11,12).
What are the key properties of 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine?
3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine has a molecular weight of 162.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5,6,7,8-tetrahydro-4H-isoquinolin-1-amine is sourced from PubChem (CID 58429719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).