N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine

C17H21N3 — CID 82572426

IUPACN-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine
SMILESCc1cccc2c(NC3CC3)cnc(N3CCCC3)c12
InChIInChI=1S/C17H21N3/c1-12-5-4-6-14-15(19-13-7-8-13)11-18-17(16(12)14)20-9-2-3-10-20/h4-6,11,13,19H,2-3,7-10H2,1H3
InChIKeyKMKPLLCAAKEAAX-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.72
Rot. Bonds3

About N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine

N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine (PubChem CID 82572426) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine
PubChem CID82572426
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine
SMILESCc1cccc2c(NC3CC3)cnc(N3CCCC3)c12
InChIInChI=1S/C17H21N3/c1-12-5-4-6-14-15(19-13-7-8-13)11-18-17(16(12)14)20-9-2-3-10-20/h4-6,11,13,19H,2-3,7-10H2,1H3
InChIKeyKMKPLLCAAKEAAX-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine?
The IUPAC name of N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine (CID 82572426) is N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine.
What is the SMILES notation for N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine?
The canonical SMILES for N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine is Cc1cccc2c(NC3CC3)cnc(N3CCCC3)c12.
What is the InChIKey of N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine?
The InChIKey is KMKPLLCAAKEAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-5-4-6-14-15(19-13-7-8-13)11-18-17(16(12)14)20-9-2-3-10-20/h4-6,11,13,19H,2-3,7-10H2,1H3.
What are the key properties of N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine?
N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine is sourced from PubChem (CID 82572426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).