1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine

C18H30N2 — CID 66447669

IUPAC1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)C1CCCCCCC1
InChIInChI=1S/C18H30N2/c1-3-19-18(14-17-15(2)10-9-13-20-17)16-11-7-5-4-6-8-12-16/h9-10,13,16,18-19H,3-8,11-12,14H2,1-2H3
InChIKeyZCCOBUSWIZVABW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.27
Rot. Bonds5

About 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine

1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66447669) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66447669
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)C1CCCCCCC1
InChIInChI=1S/C18H30N2/c1-3-19-18(14-17-15(2)10-9-13-20-17)16-11-7-5-4-6-8-12-16/h9-10,13,16,18-19H,3-8,11-12,14H2,1-2H3
InChIKeyZCCOBUSWIZVABW-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446086
1-cyclooctyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446277
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
CID 124850332
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
N,3-diethyl-1-(3-methyl-2-pyridinyl)pentan-2-amine
CID 66446885
1-cyclopentyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601412
1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103164338
4-cyclohexyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 66446892
N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine
CID 66447078

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine (CID 66447669) is 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ncccc1C)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is ZCCOBUSWIZVABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-19-18(14-17-15(2)10-9-13-20-17)16-11-7-5-4-6-8-12-16/h9-10,13,16,18-19H,3-8,11-12,14H2,1-2H3.
What are the key properties of 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66447669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).