5-N-(2-cyclohexylethyl)pyridine-2,5-diamine

C13H21N3 — CID 60919964

IUPAC5-N-(2-cyclohexylethyl)pyridine-2,5-diamine
SMILESNc1ccc(NCCC2CCCCC2)cn1
InChIInChI=1S/C13H21N3/c14-13-7-6-12(10-16-13)15-9-8-11-4-2-1-3-5-11/h6-7,10-11,15H,1-5,8-9H2,(H2,14,16)
InChIKeyHETHCFVRJANQTP-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds4

About 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine

5-N-(2-cyclohexylethyl)pyridine-2,5-diamine (PubChem CID 60919964) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclohexylethyl)pyridine-2,5-diamine
PubChem CID60919964
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-N-(2-cyclohexylethyl)pyridine-2,5-diamine
SMILESNc1ccc(NCCC2CCCCC2)cn1
InChIInChI=1S/C13H21N3/c14-13-7-6-12(10-16-13)15-9-8-11-4-2-1-3-5-11/h6-7,10-11,15H,1-5,8-9H2,(H2,14,16)
InChIKeyHETHCFVRJANQTP-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
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3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane
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6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine (CID 60919964) is 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine is Nc1ccc(NCCC2CCCCC2)cn1.
What is the InChIKey of 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine?
The InChIKey is HETHCFVRJANQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-13-7-6-12(10-16-13)15-9-8-11-4-2-1-3-5-11/h6-7,10-11,15H,1-5,8-9H2,(H2,14,16).
What are the key properties of 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine?
5-N-(2-cyclohexylethyl)pyridine-2,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclohexylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 60919964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).