4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine

C16H21N3 — CID 106775058

IUPAC4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
SMILESCN(c1ncc(CN)c2ccccc12)C1CCCC1
InChIInChI=1S/C16H21N3/c1-19(13-6-2-3-7-13)16-15-9-5-4-8-14(15)12(10-17)11-18-16/h4-5,8-9,11,13H,2-3,6-7,10,17H2,1H3
InChIKeyKTSWRECQOWJRPE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.07
Rot. Bonds3

About 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine

4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine (PubChem CID 106775058) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
PubChem CID106775058
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
SMILESCN(c1ncc(CN)c2ccccc12)C1CCCC1
InChIInChI=1S/C16H21N3/c1-19(13-6-2-3-7-13)16-15-9-5-4-8-14(15)12(10-17)11-18-16/h4-5,8-9,11,13H,2-3,6-7,10,17H2,1H3
InChIKeyKTSWRECQOWJRPE-UHFFFAOYSA-N
XLogP3.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
CID 106766543
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 62301035
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
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-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
CID 106776497
4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
CID 106775573
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine (CID 106775058) is 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine is CN(c1ncc(CN)c2ccccc12)C1CCCC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine?
The InChIKey is KTSWRECQOWJRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19(13-6-2-3-7-13)16-15-9-5-4-8-14(15)12(10-17)11-18-16/h4-5,8-9,11,13H,2-3,6-7,10,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine?
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine is sourced from PubChem (CID 106775058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).