N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine

C18H25N3 — CID 62512922

IUPACN-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(c2cccc3cnccc23)C1
InChIInChI=1S/C18H25N3/c1-14(2)10-20-11-15-7-9-21(13-15)18-5-3-4-16-12-19-8-6-17(16)18/h3-6,8,12,14-15,20H,7,9-11,13H2,1-2H3
InChIKeyGZKZSZUUDNRLAR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.31
Rot. Bonds5

About N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine

N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 62512922) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID62512922
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(c2cccc3cnccc23)C1
InChIInChI=1S/C18H25N3/c1-14(2)10-20-11-15-7-9-21(13-15)18-5-3-4-16-12-19-8-6-17(16)18/h3-6,8,12,14-15,20H,7,9-11,13H2,1-2H3
InChIKeyGZKZSZUUDNRLAR-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761
5-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 94873112
N-[[3-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074060
5-(3-propan-2-yl-1,4-diazepan-1-yl)isoquinoline
CID 64942773
5-(3-methyl-1,4-diazepan-1-yl)isoquinoline
CID 64945525
5-pyrrolidin-1-ylisoquinoline
CID 82582558
1-naphthalen-1-yl-3-propylpyrrolidine
CID 10376978
2-isoquinolin-5-yl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79923607
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
5-(3-tert-butylpiperazin-1-yl)isoquinoline
CID 64924272
N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 102854005
2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
CID 106948479

Frequently Asked Questions

What is the IUPAC name of N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine (CID 62512922) is N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(c2cccc3cnccc23)C1.
What is the InChIKey of N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is GZKZSZUUDNRLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)10-20-11-15-7-9-21(13-15)18-5-3-4-16-12-19-8-6-17(16)18/h3-6,8,12,14-15,20H,7,9-11,13H2,1-2H3.
What are the key properties of N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine?
N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62512922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).