N'-pyridin-2-ylmethanediamine

C6H9N3 — CID 115225472

IUPACN'-pyridin-2-ylmethanediamine
SMILESNCNc1ccccn1
InChIInChI=1S/C6H9N3/c7-5-9-6-3-1-2-4-8-6/h1-4H,5,7H2,(H,8,9)
InChIKeyDYDIXASOTFPORF-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.41
Rot. Bonds2

About N'-pyridin-2-ylmethanediamine

N'-pyridin-2-ylmethanediamine (PubChem CID 115225472) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N'-pyridin-2-ylmethanediamine.

Molecular Properties

Compound NameN'-pyridin-2-ylmethanediamine
PubChem CID115225472
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN'-pyridin-2-ylmethanediamine
SMILESNCNc1ccccn1
InChIInChI=1S/C6H9N3/c7-5-9-6-3-1-2-4-8-6/h1-4H,5,7H2,(H,8,9)
InChIKeyDYDIXASOTFPORF-UHFFFAOYSA-N
XLogP0.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 106251431
N-propylpyridin-2-amine
CID 91192651
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
methanol;N-methylpyridin-2-amine
CID 174971654
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-butylpyridin-2-amine
CID 14322668
N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
N-[[3-(aminomethyl)oxetan-3-yl]methyl]pyridin-2-amine
CID 115249253
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616

Frequently Asked Questions

What is the IUPAC name of N'-pyridin-2-ylmethanediamine?
The IUPAC name of N'-pyridin-2-ylmethanediamine (CID 115225472) is N'-pyridin-2-ylmethanediamine.
What is the SMILES notation for N'-pyridin-2-ylmethanediamine?
The canonical SMILES for N'-pyridin-2-ylmethanediamine is NCNc1ccccn1.
What is the InChIKey of N'-pyridin-2-ylmethanediamine?
The InChIKey is DYDIXASOTFPORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-5-9-6-3-1-2-4-8-6/h1-4H,5,7H2,(H,8,9).
What are the key properties of N'-pyridin-2-ylmethanediamine?
N'-pyridin-2-ylmethanediamine has a molecular weight of 123.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyridin-2-ylmethanediamine is sourced from PubChem (CID 115225472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).