N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine

C17H28N2O — CID 62290861

IUPACN-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
SMILESCCC1CCCCC1Oc1ccnc(CNC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-4-14-7-5-6-8-17(14)20-16-9-10-18-15(11-16)12-19-13(2)3/h9-11,13-14,17,19H,4-8,12H2,1-3H3
InChIKeyFKUSNWHHXDEZEH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.93
Rot. Bonds6

About N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine

N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62290861) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
PubChem CID62290861
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
SMILESCCC1CCCCC1Oc1ccnc(CNC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-4-14-7-5-6-8-17(14)20-16-9-10-18-15(11-16)12-19-13(2)3/h9-11,13-14,17,19H,4-8,12H2,1-3H3
InChIKeyFKUSNWHHXDEZEH-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine (CID 62290861) is N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine is CCC1CCCCC1Oc1ccnc(CNC(C)C)c1.
What is the InChIKey of N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is FKUSNWHHXDEZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14-7-5-6-8-17(14)20-16-9-10-18-15(11-16)12-19-13(2)3/h9-11,13-14,17,19H,4-8,12H2,1-3H3.
What are the key properties of N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62290861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).