N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine

C17H28N2O — CID 62292114

IUPACN-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OC2CCCCC2CC)n1
InChIInChI=1S/C17H28N2O/c1-3-12-18-13-15-9-7-11-17(19-15)20-16-10-6-5-8-14(16)4-2/h7,9,11,14,16,18H,3-6,8,10,12-13H2,1-2H3
InChIKeyOTNPSHVUKIMHRT-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.93
Rot. Bonds7

About N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine

N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62292114) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
PubChem CID62292114
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OC2CCCCC2CC)n1
InChIInChI=1S/C17H28N2O/c1-3-12-18-13-15-9-7-11-17(19-15)20-16-10-6-5-8-14(16)4-2/h7,9,11,14,16,18H,3-6,8,10,12-13H2,1-2H3
InChIKeyOTNPSHVUKIMHRT-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine
CID 63446435
2-bromo-6-(2-ethylcyclohexyl)oxypyridine
CID 63964037
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 63862466
N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83186105
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
N-[[6-(4-ethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298336
N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322224
[4-(2-ethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909980
N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine
CID 62444742

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine (CID 62292114) is N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(OC2CCCCC2CC)n1.
What is the InChIKey of N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is OTNPSHVUKIMHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-12-18-13-15-9-7-11-17(19-15)20-16-10-6-5-8-14(16)4-2/h7,9,11,14,16,18H,3-6,8,10,12-13H2,1-2H3.
What are the key properties of N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62292114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).