1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine

C18H30N2O — CID 79164939

IUPAC1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OC1CC(C)CC(C)C1
InChIInChI=1S/C18H30N2O/c1-5-15(19)11-17-18(7-6-14(4)20-17)21-16-9-12(2)8-13(3)10-16/h6-7,12-13,15-16H,5,8-11,19H2,1-4H3
InChIKeyQSAIKBBOBYYYIS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.87
Rot. Bonds5

About 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine

1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine (PubChem CID 79164939) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine
PubChem CID79164939
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OC1CC(C)CC(C)C1
InChIInChI=1S/C18H30N2O/c1-5-15(19)11-17-18(7-6-14(4)20-17)21-16-9-12(2)8-13(3)10-16/h6-7,12-13,15-16H,5,8-11,19H2,1-4H3
InChIKeyQSAIKBBOBYYYIS-UHFFFAOYSA-N
XLogP3.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine (CID 79164939) is 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine is CCC(N)Cc1nc(C)ccc1OC1CC(C)CC(C)C1.
What is the InChIKey of 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine?
The InChIKey is QSAIKBBOBYYYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-15(19)11-17-18(7-6-14(4)20-17)21-16-9-12(2)8-13(3)10-16/h6-7,12-13,15-16H,5,8-11,19H2,1-4H3.
What are the key properties of 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine?
1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79164939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).