ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine

C11H23N3 — CID 143987472

IUPACethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
SMILESC/C=C1\CCCN=C1NCCN.CC
InChIInChI=1S/C9H17N3.C2H6/c1-2-8-4-3-6-11-9(8)12-7-5-10;1-2/h2H,3-7,10H2,1H3,(H,11,12);1-2H3/b8-2+;
InChIKeyZAOJGFDSNSOGOM-VOKCZWNHSA-N
MW197.33 g/mol
LogP1.70
Rot. Bonds2

About ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine

ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine (PubChem CID 143987472) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
PubChem CID143987472
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Nameethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
SMILESC/C=C1\CCCN=C1NCCN.CC
InChIInChI=1S/C9H17N3.C2H6/c1-2-8-4-3-6-11-9(8)12-7-5-10;1-2/h2H,3-7,10H2,1H3,(H,11,12);1-2H3/b8-2+;
InChIKeyZAOJGFDSNSOGOM-VOKCZWNHSA-N
XLogP1.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine?
The IUPAC name of ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine (CID 143987472) is ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine?
The canonical SMILES for ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine is C/C=C1\CCCN=C1NCCN.CC.
What is the InChIKey of ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine?
The InChIKey is ZAOJGFDSNSOGOM-VOKCZWNHSA-N. The full InChI is InChI=1S/C9H17N3.C2H6/c1-2-8-4-3-6-11-9(8)12-7-5-10;1-2/h2H,3-7,10H2,1H3,(H,11,12);1-2H3/b8-2+;.
What are the key properties of ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine?
ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 143987472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).