N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine

C17H28N2O — CID 114342292

IUPACN-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OC2CCC(C)(C)CC2)nc1
InChIInChI=1S/C17H28N2O/c1-13(2)18-11-14-5-6-16(19-12-14)20-15-7-9-17(3,4)10-8-15/h5-6,12-13,15,18H,7-11H2,1-4H3
InChIKeyUFFHPXQWRDBGFA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.93
Rot. Bonds5

About N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine

N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine (PubChem CID 114342292) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
PubChem CID114342292
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OC2CCC(C)(C)CC2)nc1
InChIInChI=1S/C17H28N2O/c1-13(2)18-11-14-5-6-16(19-12-14)20-15-7-9-17(3,4)10-8-15/h5-6,12-13,15,18H,7-11H2,1-4H3
InChIKeyUFFHPXQWRDBGFA-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine (CID 114342292) is N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OC2CCC(C)(C)CC2)nc1.
What is the InChIKey of N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is UFFHPXQWRDBGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)18-11-14-5-6-16(19-12-14)20-15-7-9-17(3,4)10-8-15/h5-6,12-13,15,18H,7-11H2,1-4H3.
What are the key properties of N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114342292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).