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

C17H20N2O — CID 62291500

IUPACN-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine
SMILESc1ccc2c(OCC3CC3)nc(CNC3CC3)cc2c1
InChIInChI=1S/C17H20N2O/c1-2-4-16-13(3-1)9-15(10-18-14-7-8-14)19-17(16)20-11-12-5-6-12/h1-4,9,12,14,18H,5-8,10-11H2
InChIKeyWYPAVVLQZGQSKP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds6

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

N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine (PubChem CID 62291500) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine
PubChem CID62291500
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine
SMILESc1ccc2c(OCC3CC3)nc(CNC3CC3)cc2c1
InChIInChI=1S/C17H20N2O/c1-2-4-16-13(3-1)9-15(10-18-14-7-8-14)19-17(16)20-11-12-5-6-12/h1-4,9,12,14,18H,5-8,10-11H2
InChIKeyWYPAVVLQZGQSKP-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine
CID 62292584
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 62291335
3-(chloromethyl)-1-(cyclopropylmethoxy)isoquinoline
CID 61268229
N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 106205344
1-(cyclopropylmethoxy)isoquinoline-3-carboxylic acid
CID 43343317
N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine
CID 62286266
1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
CID 62292060
N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine
CID 63377355
(1-cyclobutyloxyisoquinolin-3-yl)methanamine
CID 62286989
4-(cyclopropylmethoxy)quinazolin-2-amine
CID 80866857
2-[(cyclobutylamino)methyl]quinolin-4-amine
CID 115485862
N-methyl-1-[1-(oxan-4-yloxy)isoquinolin-3-yl]methanamine
CID 62288419

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine (CID 62291500) is N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine is c1ccc2c(OCC3CC3)nc(CNC3CC3)cc2c1.
What is the InChIKey of N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine?
The InChIKey is WYPAVVLQZGQSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-4-16-13(3-1)9-15(10-18-14-7-8-14)19-17(16)20-11-12-5-6-12/h1-4,9,12,14,18H,5-8,10-11H2.
What are the key properties of N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine?
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 3.28, 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]cyclopropanamine is sourced from PubChem (CID 62291500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).