N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine

C16H20N2O — CID 62292584

IUPACN-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine
SMILESCCCOc1nc(CNC2CC2)cc2ccccc12
InChIInChI=1S/C16H20N2O/c1-2-9-19-16-15-6-4-3-5-12(15)10-14(18-16)11-17-13-7-8-13/h3-6,10,13,17H,2,7-9,11H2,1H3
InChIKeyLQKLIHMEWIMJAO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.28
Rot. Bonds6

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

N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine (PubChem CID 62292584) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine
PubChem CID62292584
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine
SMILESCCCOc1nc(CNC2CC2)cc2ccccc12
InChIInChI=1S/C16H20N2O/c1-2-9-19-16-15-6-4-3-5-12(15)10-14(18-16)11-17-13-7-8-13/h3-6,10,13,17H,2,7-9,11H2,1H3
InChIKeyLQKLIHMEWIMJAO-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine
CID 62291500
N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 106205344
N-[[1-(2-methylpentoxy)isoquinolin-3-yl]methyl]ethanamine
CID 103285490
N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine
CID 62286266
N-[(1-pent-4-enoxyisoquinolin-3-yl)methyl]ethanamine
CID 79112680
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]ethanamine
CID 114470490
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 114470589
1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
CID 62292060
N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62292089
(1-ethoxyisoquinolin-3-yl)methanamine
CID 62290468
N-[(1-but-3-enoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62287374
3-[3-(hydroxymethyl)isoquinolin-1-yl]oxypropan-1-ol
CID 61255721

Frequently Asked Questions

What is the IUPAC name of N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine (CID 62292584) is N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine is CCCOc1nc(CNC2CC2)cc2ccccc12.
What is the InChIKey of N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine?
The InChIKey is LQKLIHMEWIMJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-9-19-16-15-6-4-3-5-12(15)10-14(18-16)11-17-13-7-8-13/h3-6,10,13,17H,2,7-9,11H2,1H3.
What are the key properties of N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine?
N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine has a molecular weight of 256.35 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-propoxyisoquinolin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62292584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).