N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine

C17H23N3 — CID 567031

IUPACN-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine
SMILESCC(CCNc1cc2ccccc2cn1)N1CCCC1
InChIInChI=1S/C17H23N3/c1-14(20-10-4-5-11-20)8-9-18-17-12-15-6-2-3-7-16(15)13-19-17/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyZYXVVQYANUSLPW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds5

About N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine

N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine (PubChem CID 567031) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine
PubChem CID567031
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine
SMILESCC(CCNc1cc2ccccc2cn1)N1CCCC1
InChIInChI=1S/C17H23N3/c1-14(20-10-4-5-11-20)8-9-18-17-12-15-6-2-3-7-16(15)13-19-17/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyZYXVVQYANUSLPW-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine (CID 567031) is N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine is CC(CCNc1cc2ccccc2cn1)N1CCCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine?
The InChIKey is ZYXVVQYANUSLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(20-10-4-5-11-20)8-9-18-17-12-15-6-2-3-7-16(15)13-19-17/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,18,19).
What are the key properties of N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine?
N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine has a molecular weight of 269.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylbutyl)isoquinolin-3-amine is sourced from PubChem (CID 567031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).