1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine

C11H19N5 — CID 174446134

IUPAC1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine
SMILESCC(N)Nc1ccc(N2CCC(N)C2)nc1
InChIInChI=1S/C11H19N5/c1-8(12)15-10-2-3-11(14-6-10)16-5-4-9(13)7-16/h2-3,6,8-9,15H,4-5,7,12-13H2,1H3
InChIKeyXTAURONXGUPPMG-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.34
Rot. Bonds3

About 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine

1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine (PubChem CID 174446134) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine
PubChem CID174446134
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine
SMILESCC(N)Nc1ccc(N2CCC(N)C2)nc1
InChIInChI=1S/C11H19N5/c1-8(12)15-10-2-3-11(14-6-10)16-5-4-9(13)7-16/h2-3,6,8-9,15H,4-5,7,12-13H2,1H3
InChIKeyXTAURONXGUPPMG-UHFFFAOYSA-N
XLogP0.34
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
6-[(3R)-3-aminopyrrolidin-1-yl]pyridin-3-amine
CID 68722963
N-(1-cyclobutylpropan-2-yl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 115922079
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
6-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridin-3-amine
CID 174705395
1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-amine
CID 83832620
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine
CID 80635204
1-[4-(methylamino)phenyl]pyrrolidin-3-amine
CID 89019362
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
4-N-(6-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1,4-diamine
CID 79725201

Frequently Asked Questions

What is the IUPAC name of 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine (CID 174446134) is 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine is CC(N)Nc1ccc(N2CCC(N)C2)nc1.
What is the InChIKey of 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine?
The InChIKey is XTAURONXGUPPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8(12)15-10-2-3-11(14-6-10)16-5-4-9(13)7-16/h2-3,6,8-9,15H,4-5,7,12-13H2,1H3.
What are the key properties of 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine?
1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethane-1,1-diamine is sourced from PubChem (CID 174446134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).