1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine

C17H28N2O — CID 83127834

IUPAC1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine
SMILESCC1CCC(C(C)C)C(Oc2ccc(C(C)N)nc2)C1
InChIInChI=1S/C17H28N2O/c1-11(2)15-7-5-12(3)9-17(15)20-14-6-8-16(13(4)18)19-10-14/h6,8,10-13,15,17H,5,7,9,18H2,1-4H3
InChIKeyNJKMJTMOXMSOQT-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.94
Rot. Bonds4

About 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine

1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine (PubChem CID 83127834) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine
PubChem CID83127834
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine
SMILESCC1CCC(C(C)C)C(Oc2ccc(C(C)N)nc2)C1
InChIInChI=1S/C17H28N2O/c1-11(2)15-7-5-12(3)9-17(15)20-14-6-8-16(13(4)18)19-10-14/h6,8,10-13,15,17H,5,7,9,18H2,1-4H3
InChIKeyNJKMJTMOXMSOQT-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83123467
1-(chloromethyl)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzene
CID 178071017
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
(1R)-1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 104893945
(1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83123915
2-hydroxy-2-[4-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]acetic acid
CID 166450076
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
CID 80860237
2-chloro-4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 59203893
N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
CID 80859465
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
2-[4-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]-2-phenylpropanenitrile
CID 162418325

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine (CID 83127834) is 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine is CC1CCC(C(C)C)C(Oc2ccc(C(C)N)nc2)C1.
What is the InChIKey of 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The InChIKey is NJKMJTMOXMSOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11(2)15-7-5-12(3)9-17(15)20-14-6-8-16(13(4)18)19-10-14/h6,8,10-13,15,17H,5,7,9,18H2,1-4H3.
What are the key properties of 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine?
1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).