N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine

C7H13N3 — CID 70309686

IUPACN'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine
SMILESNCCNC1=NCCC=C1
InChIInChI=1S/C7H13N3/c8-4-6-10-7-3-1-2-5-9-7/h1,3H,2,4-6,8H2,(H,9,10)
InChIKeyHNRYLVVLVMXILP-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.11
Rot. Bonds2

About N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine

N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine (PubChem CID 70309686) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine
PubChem CID70309686
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine
SMILESNCCNC1=NCCC=C1
InChIInChI=1S/C7H13N3/c8-4-6-10-7-3-1-2-5-9-7/h1,3H,2,4-6,8H2,(H,9,10)
InChIKeyHNRYLVVLVMXILP-UHFFFAOYSA-N
XLogP-0.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine (CID 70309686) is N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine is NCCNC1=NCCC=C1.
What is the InChIKey of N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine?
The InChIKey is HNRYLVVLVMXILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c8-4-6-10-7-3-1-2-5-9-7/h1,3H,2,4-6,8H2,(H,9,10).
What are the key properties of N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine?
N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine has a molecular weight of 139.20 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 70309686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).