2-(1,3-diazinan-2-yl)aniline

C10H15N3 — CID 121279061

IUPAC2-(1,3-diazinan-2-yl)aniline
SMILESNc1ccccc1C1NCCCN1
InChIInChI=1S/C10H15N3/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10,12-13H,3,6-7,11H2
InChIKeyRMRRURTXDCSFRG-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.85
Rot. Bonds1

About 2-(1,3-diazinan-2-yl)aniline

2-(1,3-diazinan-2-yl)aniline (PubChem CID 121279061) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(1,3-diazinan-2-yl)aniline.

Molecular Properties

Compound Name2-(1,3-diazinan-2-yl)aniline
PubChem CID121279061
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-(1,3-diazinan-2-yl)aniline
SMILESNc1ccccc1C1NCCCN1
InChIInChI=1S/C10H15N3/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10,12-13H,3,6-7,11H2
InChIKeyRMRRURTXDCSFRG-UHFFFAOYSA-N
XLogP0.85
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diazinan-2-yl)aniline?
The IUPAC name of 2-(1,3-diazinan-2-yl)aniline (CID 121279061) is 2-(1,3-diazinan-2-yl)aniline.
What is the SMILES notation for 2-(1,3-diazinan-2-yl)aniline?
The canonical SMILES for 2-(1,3-diazinan-2-yl)aniline is Nc1ccccc1C1NCCCN1.
What is the InChIKey of 2-(1,3-diazinan-2-yl)aniline?
The InChIKey is RMRRURTXDCSFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10,12-13H,3,6-7,11H2.
What are the key properties of 2-(1,3-diazinan-2-yl)aniline?
2-(1,3-diazinan-2-yl)aniline has a molecular weight of 177.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diazinan-2-yl)aniline is sourced from PubChem (CID 121279061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).