(1-propylisoquinolin-3-yl)methanamine

C13H16N2 — CID 83527844

IUPAC(1-propylisoquinolin-3-yl)methanamine
SMILESCCCc1nc(CN)cc2ccccc12
InChIInChI=1S/C13H16N2/c1-2-5-13-12-7-4-3-6-10(12)8-11(9-14)15-13/h3-4,6-8H,2,5,9,14H2,1H3
InChIKeyNGAVTBXYUCHNEX-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.65
Rot. Bonds3

About (1-propylisoquinolin-3-yl)methanamine

(1-propylisoquinolin-3-yl)methanamine (PubChem CID 83527844) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1-propylisoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(1-propylisoquinolin-3-yl)methanamine
PubChem CID83527844
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(1-propylisoquinolin-3-yl)methanamine
SMILESCCCc1nc(CN)cc2ccccc12
InChIInChI=1S/C13H16N2/c1-2-5-13-12-7-4-3-6-10(12)8-11(9-14)15-13/h3-4,6-8H,2,5,9,14H2,1H3
InChIKeyNGAVTBXYUCHNEX-UHFFFAOYSA-N
XLogP2.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-methyl-N-pentylisoquinolin-1-amine
CID 62298772
1-chloro-3-propylisoquinoline
CID 119093749
(1-ethoxyisoquinolin-3-yl)methanamine
CID 62290468
(1-methylsulfanylisoquinolin-3-yl)methanamine
CID 82506789
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 55054502
3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine
CID 62299466
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
CID 63938907
3-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 55054975
3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
CID 62299999
3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 62301035
(1-cyclobutyloxyisoquinolin-3-yl)methanamine
CID 62286989
2-methyl-4-propylquinazoline
CID 22419316

Frequently Asked Questions

What is the IUPAC name of (1-propylisoquinolin-3-yl)methanamine?
The IUPAC name of (1-propylisoquinolin-3-yl)methanamine (CID 83527844) is (1-propylisoquinolin-3-yl)methanamine.
What is the SMILES notation for (1-propylisoquinolin-3-yl)methanamine?
The canonical SMILES for (1-propylisoquinolin-3-yl)methanamine is CCCc1nc(CN)cc2ccccc12.
What is the InChIKey of (1-propylisoquinolin-3-yl)methanamine?
The InChIKey is NGAVTBXYUCHNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-5-13-12-7-4-3-6-10(12)8-11(9-14)15-13/h3-4,6-8H,2,5,9,14H2,1H3.
What are the key properties of (1-propylisoquinolin-3-yl)methanamine?
(1-propylisoquinolin-3-yl)methanamine has a molecular weight of 200.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylisoquinolin-3-yl)methanamine is sourced from PubChem (CID 83527844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).