N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine

C16H20N2O — CID 62291335

IUPACN-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2c(OCC2CC2)n1
InChIInChI=1S/C16H20N2O/c1-2-17-10-14-9-13-5-3-4-6-15(13)16(18-14)19-11-12-7-8-12/h3-6,9,12,17H,2,7-8,10-11H2,1H3
InChIKeyXVIMTNFAWREUJT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.13
Rot. Bonds6

About N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine

N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine (PubChem CID 62291335) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
PubChem CID62291335
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2c(OCC2CC2)n1
InChIInChI=1S/C16H20N2O/c1-2-17-10-14-9-13-5-3-4-6-15(13)16(18-14)19-11-12-7-8-12/h3-6,9,12,17H,2,7-8,10-11H2,1H3
InChIKeyXVIMTNFAWREUJT-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine (CID 62291335) is N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine is CCNCc1cc2ccccc2c(OCC2CC2)n1.
What is the InChIKey of N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine?
The InChIKey is XVIMTNFAWREUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-17-10-14-9-13-5-3-4-6-15(13)16(18-14)19-11-12-7-8-12/h3-6,9,12,17H,2,7-8,10-11H2,1H3.
What are the key properties of N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine?
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62291335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).