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

C15H21N3 — CID 106774819

IUPAC4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
SMILESCCCCN(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C15H21N3/c1-3-4-9-18(2)15-14-8-6-5-7-13(14)12(10-16)11-17-15/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyXZISGDZBCTXQQY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds5

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

4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine (PubChem CID 106774819) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
PubChem CID106774819
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
SMILESCCCCN(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C15H21N3/c1-3-4-9-18(2)15-14-8-6-5-7-13(14)12(10-16)11-17-15/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyXZISGDZBCTXQQY-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
CID 106774817
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
CID 106776497
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106775822
3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
CID 62299284
4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
CID 106775573
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine (CID 106774819) is 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine is CCCCN(C)c1ncc(CN)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine?
The InChIKey is XZISGDZBCTXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-9-18(2)15-14-8-6-5-7-13(14)12(10-16)11-17-15/h5-8,11H,3-4,9-10,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine?
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine is sourced from PubChem (CID 106774819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).