N,N-dimethyl-3,4-dihydroisoquinolin-1-amine

C11H14N2 — CID 10130189

IUPACN,N-dimethyl-3,4-dihydroisoquinolin-1-amine
SMILESCN(C)C1=NCCc2ccccc21
InChIInChI=1S/C11H14N2/c1-13(2)11-10-6-4-3-5-9(10)7-8-12-11/h3-6H,7-8H2,1-2H3
InChIKeyNFIGDGYBENCNGU-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.55
Rot. Bonds

About N,N-dimethyl-3,4-dihydroisoquinolin-1-amine

N,N-dimethyl-3,4-dihydroisoquinolin-1-amine (PubChem CID 10130189) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N,N-dimethyl-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3,4-dihydroisoquinolin-1-amine
PubChem CID10130189
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN,N-dimethyl-3,4-dihydroisoquinolin-1-amine
SMILESCN(C)C1=NCCc2ccccc21
InChIInChI=1S/C11H14N2/c1-13(2)11-10-6-4-3-5-9(10)7-8-12-11/h3-6H,7-8H2,1-2H3
InChIKeyNFIGDGYBENCNGU-UHFFFAOYSA-N
XLogP1.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of N,N-dimethyl-3,4-dihydroisoquinolin-1-amine (CID 10130189) is N,N-dimethyl-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for N,N-dimethyl-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for N,N-dimethyl-3,4-dihydroisoquinolin-1-amine is CN(C)C1=NCCc2ccccc21.
What is the InChIKey of N,N-dimethyl-3,4-dihydroisoquinolin-1-amine?
The InChIKey is NFIGDGYBENCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-13(2)11-10-6-4-3-5-9(10)7-8-12-11/h3-6H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-3,4-dihydroisoquinolin-1-amine?
N,N-dimethyl-3,4-dihydroisoquinolin-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 10130189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).