N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine

C17H28N2O — CID 105075716

IUPACN-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1OC1CCCC(CC)C1
InChIInChI=1S/C17H28N2O/c1-3-9-18-12-15-8-10-19-13-17(15)20-16-7-5-6-14(4-2)11-16/h8,10,13-14,16,18H,3-7,9,11-12H2,1-2H3
InChIKeyQHANYTVDVVGWQA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.93
Rot. Bonds7

About N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine

N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105075716) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
PubChem CID105075716
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1OC1CCCC(CC)C1
InChIInChI=1S/C17H28N2O/c1-3-9-18-12-15-8-10-19-13-17(15)20-16-7-5-6-14(4-2)11-16/h8,10,13-14,16,18H,3-7,9,11-12H2,1-2H3
InChIKeyQHANYTVDVVGWQA-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

N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 81250615
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075597
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine
CID 105075023
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013
N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 81254393
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073619
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105391510

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine (CID 105075716) is N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1OC1CCCC(CC)C1.
What is the InChIKey of N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is QHANYTVDVVGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-9-18-12-15-8-10-19-13-17(15)20-16-7-5-6-14(4-2)11-16/h8,10,13-14,16,18H,3-7,9,11-12H2,1-2H3.
What are the key properties of N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(3-ethylcyclohexyl)oxy-4-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-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105075716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).