N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C8H13N3 — CID 12677274

IUPACN'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1ccccn1
InChIInChI=1S/C8H13N3/c9-4-6-10-7-8-3-1-2-5-11-8/h1-3,5,10H,4,6-7,9H2
InChIKeyJAOSYYPULNBONK-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.13
Rot. Bonds4

About N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 12677274) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID12677274
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1ccccn1
InChIInChI=1S/C8H13N3/c9-4-6-10-7-8-3-1-2-5-11-8/h1-3,5,10H,4,6-7,9H2
InChIKeyJAOSYYPULNBONK-UHFFFAOYSA-N
XLogP0.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 12677274) is N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is NCCNCc1ccccn1.
What is the InChIKey of N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is JAOSYYPULNBONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-4-6-10-7-8-3-1-2-5-11-8/h1-3,5,10H,4,6-7,9H2.
What are the key properties of N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 151.21 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 12677274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).