2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine

C10H15N3 — CID 10035152

IUPAC2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
SMILESCN1CCc2ccc(N)c(N)c2C1
InChIInChI=1S/C10H15N3/c1-13-5-4-7-2-3-9(11)10(12)8(7)6-13/h2-3H,4-6,11-12H2,1H3
InChIKeyVVEJOJNSVZAKJZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.84
Rot. Bonds

About 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine

2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine (PubChem CID 10035152) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
PubChem CID10035152
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
SMILESCN1CCc2ccc(N)c(N)c2C1
InChIInChI=1S/C10H15N3/c1-13-5-4-7-2-3-9(11)10(12)8(7)6-13/h2-3H,4-6,11-12H2,1H3
InChIKeyVVEJOJNSVZAKJZ-UHFFFAOYSA-N
XLogP0.84
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
The IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine (CID 10035152) is 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine is CN1CCc2ccc(N)c(N)c2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
The InChIKey is VVEJOJNSVZAKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-13-5-4-7-2-3-9(11)10(12)8(7)6-13/h2-3H,4-6,11-12H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine?
2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine has a molecular weight of 177.25 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine is sourced from PubChem (CID 10035152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).