1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine

C21H31N3 — CID 143705375

IUPAC1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCC(CC)N1CCC(CNC(C)c2ccc3cnccc3c2)C1
InChIInChI=1S/C21H31N3/c1-4-21(5-2)24-11-9-17(15-24)13-23-16(3)18-6-7-20-14-22-10-8-19(20)12-18/h6-8,10,12,14,16-17,21,23H,4-5,9,11,13,15H2,1-3H3
InChIKeySIWHKPCSZVVEKO-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.40
Rot. Bonds7

About 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine

1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 143705375) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID143705375
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCC(CC)N1CCC(CNC(C)c2ccc3cnccc3c2)C1
InChIInChI=1S/C21H31N3/c1-4-21(5-2)24-11-9-17(15-24)13-23-16(3)18-6-7-20-14-22-10-8-19(20)12-18/h6-8,10,12,14,16-17,21,23H,4-5,9,11,13,15H2,1-3H3
InChIKeySIWHKPCSZVVEKO-UHFFFAOYSA-N
XLogP4.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
1-(3,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207358
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729
cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine
CID 167838795
6-pentan-3-ylisoquinoline
CID 126576058
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61208115
1-(3-bromo-4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207365
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 60856073
3-[1-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]benzonitrile
CID 61207369
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927743
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
1-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855968

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine (CID 143705375) is 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine is CCC(CC)N1CCC(CNC(C)c2ccc3cnccc3c2)C1.
What is the InChIKey of 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is SIWHKPCSZVVEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-4-21(5-2)24-11-9-17(15-24)13-23-16(3)18-6-7-20-14-22-10-8-19(20)12-18/h6-8,10,12,14,16-17,21,23H,4-5,9,11,13,15H2,1-3H3.
What are the key properties of 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine?
1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 325.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 143705375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).