1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine

C11H16N6 — CID 103976832

IUPAC1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C11H16N6/c1-7(12)8-2-3-17(4-8)11-9-10(14-5-13-9)15-6-16-11/h5-8H,2-4,12H2,1H3,(H,13,14,15,16)
InChIKeyKTKKUACDUFEHLO-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.53
Rot. Bonds2

About 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine

1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 103976832) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
PubChem CID103976832
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C11H16N6/c1-7(12)8-2-3-17(4-8)11-9-10(14-5-13-9)15-6-16-11/h5-8H,2-4,12H2,1H3,(H,13,14,15,16)
InChIKeyKTKKUACDUFEHLO-UHFFFAOYSA-N
XLogP0.53
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 146128239
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
CID 63854249
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553426
(2R)-2-ethyl-4-(7H-purin-6-yl)morpholine
CID 94145887
6-[(3S)-3-ethylsulfanylazepan-1-yl]-7H-purine
CID 95622987
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
CID 133300022

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine (CID 103976832) is 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is KTKKUACDUFEHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7(12)8-2-3-17(4-8)11-9-10(14-5-13-9)15-6-16-11/h5-8H,2-4,12H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 232.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).