4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine

C16H23N3 — CID 106775173

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
SMILESCCC(C)CN(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C16H23N3/c1-4-12(2)11-19(3)16-15-8-6-5-7-14(15)13(9-17)10-18-16/h5-8,10,12H,4,9,11,17H2,1-3H3
InChIKeyOJMJGGBDLRKKFA-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.18
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine

4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine (PubChem CID 106775173) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
PubChem CID106775173
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
SMILESCCC(C)CN(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C16H23N3/c1-4-12(2)11-19(3)16-15-8-6-5-7-14(15)13(9-17)10-18-16/h5-8,10,12H,4,9,11,17H2,1-3H3
InChIKeyOJMJGGBDLRKKFA-UHFFFAOYSA-N
XLogP3.18
TPSA42.15 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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106775822
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 43295307
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-(chloromethyl)-N-ethyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106769248
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
5-(aminomethyl)-N,2-dimethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81248991

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine (CID 106775173) is 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine is CCC(C)CN(C)c1ncc(CN)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine?
The InChIKey is OJMJGGBDLRKKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-12(2)11-19(3)16-15-8-6-5-7-14(15)13(9-17)10-18-16/h5-8,10,12H,4,9,11,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine?
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine is sourced from PubChem (CID 106775173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).