1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C16H26N2O — CID 112682795

IUPAC1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOc1cncc(C2(N)CC(C)(C)CC(C)(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-14(2)9-15(3,4)11-16(17,10-14)12-6-13(19-5)8-18-7-12/h6-8H,9-11,17H2,1-5H3
InChIKeyZRERVOMVQASGIC-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.48
Rot. Bonds2

About 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine

1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 112682795) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID112682795
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOc1cncc(C2(N)CC(C)(C)CC(C)(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-14(2)9-15(3,4)11-16(17,10-14)12-6-13(19-5)8-18-7-12/h6-8H,9-11,17H2,1-5H3
InChIKeyZRERVOMVQASGIC-UHFFFAOYSA-N
XLogP3.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 112682795) is 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine is COc1cncc(C2(N)CC(C)(C)CC(C)(C)C2)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is ZRERVOMVQASGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)9-15(3,4)11-16(17,10-14)12-6-13(19-5)8-18-7-12/h6-8H,9-11,17H2,1-5H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 112682795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).