3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine

C11H18N4 — CID 67293147

IUPAC3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine
SMILESNc1ccnc(N)c1CCN1CCCC1
InChIInChI=1S/C11H18N4/c12-10-3-5-14-11(13)9(10)4-8-15-6-1-2-7-15/h3,5H,1-2,4,6-8H2,(H4,12,13,14)
InChIKeyWJTAHHFKMDJIFP-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.88
Rot. Bonds3

About 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine

3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine (PubChem CID 67293147) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine
PubChem CID67293147
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine
SMILESNc1ccnc(N)c1CCN1CCCC1
InChIInChI=1S/C11H18N4/c12-10-3-5-14-11(13)9(10)4-8-15-6-1-2-7-15/h3,5H,1-2,4,6-8H2,(H4,12,13,14)
InChIKeyWJTAHHFKMDJIFP-UHFFFAOYSA-N
XLogP0.88
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
CID 69243244
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
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3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
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3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
CID 83818500
4-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 21398319
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
3-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridin-8-amine
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CID 83919940

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine (CID 67293147) is 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine is Nc1ccnc(N)c1CCN1CCCC1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine?
The InChIKey is WJTAHHFKMDJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-10-3-5-14-11(13)9(10)4-8-15-6-1-2-7-15/h3,5H,1-2,4,6-8H2,(H4,12,13,14).
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine?
3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine is sourced from PubChem (CID 67293147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).