2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine

C17H24N2O — CID 62290073

IUPAC2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
SMILESCCCOc1nc(CNCC(C)C)cc2ccccc12
InChIInChI=1S/C17H24N2O/c1-4-9-20-17-16-8-6-5-7-14(16)10-15(19-17)12-18-11-13(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3
InChIKeyHGKSDUDZCVZAFP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.77
Rot. Bonds7

About 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine

2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine (PubChem CID 62290073) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
PubChem CID62290073
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
SMILESCCCOc1nc(CNCC(C)C)cc2ccccc12
InChIInChI=1S/C17H24N2O/c1-4-9-20-17-16-8-6-5-7-14(16)10-15(19-17)12-18-11-13(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3
InChIKeyHGKSDUDZCVZAFP-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62292089
N-[(1-but-3-enoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62287374
N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine
CID 62292584
N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 62288617
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
N-[[1-(2-methylpentoxy)isoquinolin-3-yl]methyl]ethanamine
CID 103285490
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
N-[(1-pent-4-enoxyisoquinolin-3-yl)methyl]ethanamine
CID 79112680
N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 106205344
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 62291335
2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62286435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine (CID 62290073) is 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine is CCCOc1nc(CNCC(C)C)cc2ccccc12.
What is the InChIKey of 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine?
The InChIKey is HGKSDUDZCVZAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-9-20-17-16-8-6-5-7-14(16)10-15(19-17)12-18-11-13(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine?
2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62290073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).