(1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine

C16H26N2O — CID 83123915

IUPAC(1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
SMILESCC1CC(Oc2ccc([C@H](C)N)nc2)CC(C)(C)C1
InChIInChI=1S/C16H26N2O/c1-11-7-14(9-16(3,4)8-11)19-13-5-6-15(12(2)17)18-10-13/h5-6,10-12,14H,7-9,17H2,1-4H3/t11?,12-,14?/m0/s1
InChIKeyLKBYDJBMXIZMNK-LXVYMNJGSA-N
MW262.40 g/mol
LogP3.69
Rot. Bonds3

About (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine

(1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine (PubChem CID 83123915) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
PubChem CID83123915
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
SMILESCC1CC(Oc2ccc([C@H](C)N)nc2)CC(C)(C)C1
InChIInChI=1S/C16H26N2O/c1-11-7-14(9-16(3,4)8-11)19-13-5-6-15(12(2)17)18-10-13/h5-6,10-12,14H,7-9,17H2,1-4H3/t11?,12-,14?/m0/s1
InChIKeyLKBYDJBMXIZMNK-LXVYMNJGSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine (CID 83123915) is (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine is CC1CC(Oc2ccc([C@H](C)N)nc2)CC(C)(C)C1.
What is the InChIKey of (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The InChIKey is LKBYDJBMXIZMNK-LXVYMNJGSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-14(9-16(3,4)8-11)19-13-5-6-15(12(2)17)18-10-13/h5-6,10-12,14H,7-9,17H2,1-4H3/t11?,12-,14?/m0/s1.
What are the key properties of (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine?
(1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).