3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine

C16H23N3 — CID 55054502

IUPAC3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
SMILESCN(CC(C)(C)C)c1nc(CN)cc2ccccc12
InChIInChI=1S/C16H23N3/c1-16(2,3)11-19(4)15-14-8-6-5-7-12(14)9-13(10-17)18-15/h5-9H,10-11,17H2,1-4H3
InChIKeyBZWZPNVWPPGPCE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.18
Rot. Bonds3

About 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine

3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine (PubChem CID 55054502) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
PubChem CID55054502
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
SMILESCN(CC(C)(C)C)c1nc(CN)cc2ccccc12
InChIInChI=1S/C16H23N3/c1-16(2,3)11-19(4)15-14-8-6-5-7-12(14)9-13(10-17)18-15/h5-9H,10-11,17H2,1-4H3
InChIKeyBZWZPNVWPPGPCE-UHFFFAOYSA-N
XLogP3.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine (CID 55054502) is 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine is CN(CC(C)(C)C)c1nc(CN)cc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine?
The InChIKey is BZWZPNVWPPGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)11-19(4)15-14-8-6-5-7-12(14)9-13(10-17)18-15/h5-9H,10-11,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine?
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine is sourced from PubChem (CID 55054502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).