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

C9H17N3 — CID 143987473

IUPACN'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
SMILESC/C=C1\CCCN=C1NCCN
InChIInChI=1S/C9H17N3/c1-2-8-4-3-6-11-9(8)12-7-5-10/h2H,3-7,10H2,1H3,(H,11,12)/b8-2+
InChIKeyFBRLFNGMDAMTCK-KRXBUXKQSA-N
MW167.26 g/mol
LogP0.67
Rot. Bonds2

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

N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine (PubChem CID 143987473) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
PubChem CID143987473
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
SMILESC/C=C1\CCCN=C1NCCN
InChIInChI=1S/C9H17N3/c1-2-8-4-3-6-11-9(8)12-7-5-10/h2H,3-7,10H2,1H3,(H,11,12)/b8-2+
InChIKeyFBRLFNGMDAMTCK-KRXBUXKQSA-N
XLogP0.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.67
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 N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine?
The IUPAC name of N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine (CID 143987473) is N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine is C/C=C1\CCCN=C1NCCN.
What is the InChIKey of N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine?
The InChIKey is FBRLFNGMDAMTCK-KRXBUXKQSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-8-4-3-6-11-9(8)12-7-5-10/h2H,3-7,10H2,1H3,(H,11,12)/b8-2+.
What are the key properties of N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine?
N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 143987473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).