1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine

C15H24N2O — CID 112584679

IUPAC1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OC2CCCCC2)cn1
InChIInChI=1S/C15H24N2O/c1-3-14(16-2)15-10-9-13(11-17-15)18-12-7-5-4-6-8-12/h9-12,14,16H,3-8H2,1-2H3
InChIKeyPKWMRDFKYTYXET-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.46
Rot. Bonds5

About 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine

1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine (PubChem CID 112584679) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
PubChem CID112584679
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OC2CCCCC2)cn1
InChIInChI=1S/C15H24N2O/c1-3-14(16-2)15-10-9-13(11-17-15)18-12-7-5-4-6-8-12/h9-12,14,16H,3-8H2,1-2H3
InChIKeyPKWMRDFKYTYXET-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine (CID 112584679) is 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine is CCC(NC)c1ccc(OC2CCCCC2)cn1.
What is the InChIKey of 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine?
The InChIKey is PKWMRDFKYTYXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(16-2)15-10-9-13(11-17-15)18-12-7-5-4-6-8-12/h9-12,14,16H,3-8H2,1-2H3.
What are the key properties of 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine?
1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine is sourced from PubChem (CID 112584679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).