4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine

C11H17N3O — CID 93103324

IUPAC4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine
SMILESC[C@H](Nc1ccncc1N)[C@@H]1CCCO1
InChIInChI=1S/C11H17N3O/c1-8(11-3-2-6-15-11)14-10-4-5-13-7-9(10)12/h4-5,7-8,11H,2-3,6,12H2,1H3,(H,13,14)/t8-,11-/m0/s1
InChIKeyHEVLKRGBQKVEKS-KWQFWETISA-N
MW207.28 g/mol
LogP1.64
Rot. Bonds3

About 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine

4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine (PubChem CID 93103324) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine
PubChem CID93103324
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine
SMILESC[C@H](Nc1ccncc1N)[C@@H]1CCCO1
InChIInChI=1S/C11H17N3O/c1-8(11-3-2-6-15-11)14-10-4-5-13-7-9(10)12/h4-5,7-8,11H,2-3,6,12H2,1H3,(H,13,14)/t8-,11-/m0/s1
InChIKeyHEVLKRGBQKVEKS-KWQFWETISA-N
XLogP1.64
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine (CID 93103324) is 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine is C[C@H](Nc1ccncc1N)[C@@H]1CCCO1.
What is the InChIKey of 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine?
The InChIKey is HEVLKRGBQKVEKS-KWQFWETISA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(11-3-2-6-15-11)14-10-4-5-13-7-9(10)12/h4-5,7-8,11H,2-3,6,12H2,1H3,(H,13,14)/t8-,11-/m0/s1.
What are the key properties of 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine?
4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 93103324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).