(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine

C14H17N3 — CID 115492061

IUPAC(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
SMILESNCC1CCN(c2nccc3ccccc23)C1
InChIInChI=1S/C14H17N3/c15-9-11-6-8-17(10-11)14-13-4-2-1-3-12(13)5-7-16-14/h1-5,7,11H,6,8-10,15H2
InChIKeyFBSGCALDULAUQB-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.02
Rot. Bonds2

About (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine

(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine (PubChem CID 115492061) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
PubChem CID115492061
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
SMILESNCC1CCN(c2nccc3ccccc23)C1
InChIInChI=1S/C14H17N3/c15-9-11-6-8-17(10-11)14-13-4-2-1-3-12(13)5-7-16-14/h1-5,7,11H,6,8-10,15H2
InChIKeyFBSGCALDULAUQB-UHFFFAOYSA-N
XLogP2.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine
CID 97165642
[1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644812
[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine
CID 83821652
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine
CID 69122033
1-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 104977385
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
(4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine
CID 102938676
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
4-isoquinolin-1-ylthiomorpholine
CID 171328602
2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol
CID 82691067

Frequently Asked Questions

What is the IUPAC name of (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine (CID 115492061) is (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine is NCC1CCN(c2nccc3ccccc23)C1.
What is the InChIKey of (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine?
The InChIKey is FBSGCALDULAUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-11-6-8-17(10-11)14-13-4-2-1-3-12(13)5-7-16-14/h1-5,7,11H,6,8-10,15H2.
What are the key properties of (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine?
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 115492061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).