N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine

C16H23N3 — CID 62279284

IUPACN,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
SMILESCC(C)CNCc1cc2ccccc2c(N(C)C)n1
InChIInChI=1S/C16H23N3/c1-12(2)10-17-11-14-9-13-7-5-6-8-15(13)16(18-14)19(3)4/h5-9,12,17H,10-11H2,1-4H3
InChIKeyGNYHIEABRMUROT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.05
Rot. Bonds5

About N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine

N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine (PubChem CID 62279284) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
PubChem CID62279284
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
SMILESCC(C)CNCc1cc2ccccc2c(N(C)C)n1
InChIInChI=1S/C16H23N3/c1-12(2)10-17-11-14-9-13-7-5-6-8-15(13)16(18-14)19(3)4/h5-9,12,17H,10-11H2,1-4H3
InChIKeyGNYHIEABRMUROT-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine (CID 62279284) is N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine is CC(C)CNCc1cc2ccccc2c(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine?
The InChIKey is GNYHIEABRMUROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)10-17-11-14-9-13-7-5-6-8-15(13)16(18-14)19(3)4/h5-9,12,17H,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine?
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine is sourced from PubChem (CID 62279284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).