3-cyclopropyl-3,4-dihydroisoquinolin-1-amine

C12H14N2 — CID 10977064

IUPAC3-cyclopropyl-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(C2CC2)Cc2ccccc21
InChIInChI=1S/C12H14N2/c13-12-10-4-2-1-3-9(10)7-11(14-12)8-5-6-8/h1-4,8,11H,5-7H2,(H2,13,14)
InChIKeySJEMPPKPSKQEHA-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.73
Rot. Bonds1

About 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine

3-cyclopropyl-3,4-dihydroisoquinolin-1-amine (PubChem CID 10977064) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-3,4-dihydroisoquinolin-1-amine
PubChem CID10977064
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-cyclopropyl-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(C2CC2)Cc2ccccc21
InChIInChI=1S/C12H14N2/c13-12-10-4-2-1-3-9(10)7-11(14-12)8-5-6-8/h1-4,8,11H,5-7H2,(H2,13,14)
InChIKeySJEMPPKPSKQEHA-UHFFFAOYSA-N
XLogP1.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine (CID 10977064) is 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine is NC1=NC(C2CC2)Cc2ccccc21.
What is the InChIKey of 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine?
The InChIKey is SJEMPPKPSKQEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-12-10-4-2-1-3-9(10)7-11(14-12)8-5-6-8/h1-4,8,11H,5-7H2,(H2,13,14).
What are the key properties of 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine?
3-cyclopropyl-3,4-dihydroisoquinolin-1-amine has a molecular weight of 186.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 10977064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).