N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine

C18H30N2O — CID 79157903

IUPACN-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OC1CCC(CC)CC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-13-17-18(11-6-14(3)20-17)21-16-9-7-15(5-2)8-10-16/h6,11,15-16,19H,4-5,7-10,12-13H2,1-3H3
InChIKeyUIELIXZWNLASHU-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.24
Rot. Bonds7

About N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine

N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79157903) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine
PubChem CID79157903
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OC1CCC(CC)CC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-13-17-18(11-6-14(3)20-17)21-16-9-7-15(5-2)8-10-16/h6,11,15-16,19H,4-5,7-10,12-13H2,1-3H3
InChIKeyUIELIXZWNLASHU-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151658
N-[[3-bromo-4-(4-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64750225
N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79150743
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943361
N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
CID 79150869
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157744
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine (CID 79157903) is N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(C)ccc1OC1CCC(CC)CC1.
What is the InChIKey of N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is UIELIXZWNLASHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-19-13-17-18(11-6-14(3)20-17)21-16-9-7-15(5-2)8-10-16/h6,11,15-16,19H,4-5,7-10,12-13H2,1-3H3.
What are the key properties of N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine?
N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79157903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).