3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine

C14H19N3 — CID 62299999

IUPAC3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
SMILESCC(C)N(C)c1nc(CN)cc2ccccc12
InChIInChI=1S/C14H19N3/c1-10(2)17(3)14-13-7-5-4-6-11(13)8-12(9-15)16-14/h4-8,10H,9,15H2,1-3H3
InChIKeyPEOBRXLXKOYOMS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.54
Rot. Bonds3

About 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine

3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine (PubChem CID 62299999) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
PubChem CID62299999
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
SMILESCC(C)N(C)c1nc(CN)cc2ccccc12
InChIInChI=1S/C14H19N3/c1-10(2)17(3)14-13-7-5-4-6-11(13)8-12(9-15)16-14/h4-8,10H,9,15H2,1-3H3
InChIKeyPEOBRXLXKOYOMS-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine (CID 62299999) is 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine is CC(C)N(C)c1nc(CN)cc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine?
The InChIKey is PEOBRXLXKOYOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)17(3)14-13-7-5-4-6-11(13)8-12(9-15)16-14/h4-8,10H,9,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine?
3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine is sourced from PubChem (CID 62299999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).