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

C18H25N3 — CID 62286435

IUPAC2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cc2ccccc2c(N2CCCC2)n1
InChIInChI=1S/C18H25N3/c1-14(2)12-19-13-16-11-15-7-3-4-8-17(15)18(20-16)21-9-5-6-10-21/h3-4,7-8,11,14,19H,5-6,9-10,12-13H2,1-2H3
InChIKeyISZBQMWTIUQFOE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds5

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

2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine (PubChem CID 62286435) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine
PubChem CID62286435
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cc2ccccc2c(N2CCCC2)n1
InChIInChI=1S/C18H25N3/c1-14(2)12-19-13-16-11-15-7-3-4-8-17(15)18(20-16)21-9-5-6-10-21/h3-4,7-8,11,14,19H,5-6,9-10,12-13H2,1-2H3
InChIKeyISZBQMWTIUQFOE-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62286096
N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine
CID 62286266
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62285237
N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62292089
2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
CID 62290073
3-(chloromethyl)-1-(4-propan-2-ylpiperidin-1-yl)isoquinoline
CID 103501472
N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
CID 50999583
N-[(1-but-3-enoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62287374
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
1-pyrrolidin-1-ylisoquinoline-3-carbonitrile
CID 141110344
1-pyrrolidin-1-ylisoquinoline-3-carboxylic acid
CID 43343329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine (CID 62286435) is 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine is CC(C)CNCc1cc2ccccc2c(N2CCCC2)n1.
What is the InChIKey of 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine?
The InChIKey is ISZBQMWTIUQFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)12-19-13-16-11-15-7-3-4-8-17(15)18(20-16)21-9-5-6-10-21/h3-4,7-8,11,14,19H,5-6,9-10,12-13H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine?
2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62286435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).