1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine

C14H23N3O — CID 113283800

IUPAC1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)C2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-18-14-9-5-8-13(17-14)16-12(10-15)11-6-3-2-4-7-11/h5,8-9,11-12H,2-4,6-7,10,15H2,1H3,(H,16,17)
InChIKeyIJAMVCAHLYQHKO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.41
Rot. Bonds5

About 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine

1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine (PubChem CID 113283800) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine
PubChem CID113283800
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)C2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-18-14-9-5-8-13(17-14)16-12(10-15)11-6-3-2-4-7-11/h5,8-9,11-12H,2-4,6-7,10,15H2,1H3,(H,16,17)
InChIKeyIJAMVCAHLYQHKO-UHFFFAOYSA-N
XLogP2.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine (CID 113283800) is 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine is COc1cccc(NC(CN)C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is IJAMVCAHLYQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-14-9-5-8-13(17-14)16-12(10-15)11-6-3-2-4-7-11/h5,8-9,11-12H,2-4,6-7,10,15H2,1H3,(H,16,17).
What are the key properties of 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine?
1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 113283800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).