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

C16H23N3 — CID 106775794

IUPAC4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
SMILESCN(CC(C)(C)C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C16H23N3/c1-16(2,3)11-19(4)15-14-8-6-5-7-13(14)12(9-17)10-18-15/h5-8,10H,9,11,17H2,1-4H3
InChIKeyJEDYRCRFCSTTCM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.18
Rot. Bonds3

About 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine

4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine (PubChem CID 106775794) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
PubChem CID106775794
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
SMILESCN(CC(C)(C)C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C16H23N3/c1-16(2,3)11-19(4)15-14-8-6-5-7-13(14)12(9-17)10-18-15/h5-8,10H,9,11,17H2,1-4H3
InChIKeyJEDYRCRFCSTTCM-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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Related Compounds

4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 55054502
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
4-(aminomethyl)-N-tert-butyl-N-prop-2-enylisoquinolin-1-amine
CID 106776621
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106775822
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
CID 106776497
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
(1-methylisoquinolin-4-yl)methanamine
CID 105435219

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine (CID 106775794) is 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine is CN(CC(C)(C)C)c1ncc(CN)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine?
The InChIKey is JEDYRCRFCSTTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)11-19(4)15-14-8-6-5-7-13(14)12(9-17)10-18-15/h5-8,10H,9,11,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine?
4-(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 4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine is sourced from PubChem (CID 106775794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).