N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine

C18H25N3 — CID 71425512

IUPACN-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
SMILESCC(C)CCN1CCC(Nc2cccc3cnccc23)C1
InChIInChI=1S/C18H25N3/c1-14(2)7-10-21-11-8-16(13-21)20-18-5-3-4-15-12-19-9-6-17(15)18/h3-6,9,12,14,16,20H,7-8,10-11,13H2,1-2H3
InChIKeyUXMUTUJWYRULJB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.77
Rot. Bonds5

About N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine

N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 71425512) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID71425512
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
SMILESCC(C)CCN1CCC(Nc2cccc3cnccc23)C1
InChIInChI=1S/C18H25N3/c1-14(2)7-10-21-11-8-16(13-21)20-18-5-3-4-15-12-19-9-6-17(15)18/h3-6,9,12,14,16,20H,7-8,10-11,13H2,1-2H3
InChIKeyUXMUTUJWYRULJB-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine (CID 71425512) is N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine is CC(C)CCN1CCC(Nc2cccc3cnccc23)C1.
What is the InChIKey of N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is UXMUTUJWYRULJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)7-10-21-11-8-16(13-21)20-18-5-3-4-15-12-19-9-6-17(15)18/h3-6,9,12,14,16,20H,7-8,10-11,13H2,1-2H3.
What are the key properties of N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine?
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine has a molecular weight of 283.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 71425512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).