(1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine

C15H24N2O — CID 113355176

IUPAC(1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OC2CCC(C)CC2)cn1
InChIInChI=1S/C15H24N2O/c1-3-14(16)15-9-8-13(10-17-15)18-12-6-4-11(2)5-7-12/h8-12,14H,3-7,16H2,1-2H3/t11?,12?,14-/m0/s1
InChIKeyCYOLAASNLPWFNV-YIZWMMSDSA-N
MW248.37 g/mol
LogP3.45
Rot. Bonds4

About (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine

(1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine (PubChem CID 113355176) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine
PubChem CID113355176
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OC2CCC(C)CC2)cn1
InChIInChI=1S/C15H24N2O/c1-3-14(16)15-9-8-13(10-17-15)18-12-6-4-11(2)5-7-12/h8-12,14H,3-7,16H2,1-2H3/t11?,12?,14-/m0/s1
InChIKeyCYOLAASNLPWFNV-YIZWMMSDSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine
CID 112584869
1-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]propan-1-amine
CID 112584872
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
6-[(1R)-1-aminopropyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
CID 103937109
1-[5-(cyclopentylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584937
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
1-(5-cyclopentyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584681
6-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)pyridin-3-amine
CID 103937129
(1R)-1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 104893945

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine (CID 113355176) is (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(OC2CCC(C)CC2)cn1.
What is the InChIKey of (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine?
The InChIKey is CYOLAASNLPWFNV-YIZWMMSDSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(16)15-9-8-13(10-17-15)18-12-6-4-11(2)5-7-12/h8-12,14H,3-7,16H2,1-2H3/t11?,12?,14-/m0/s1.
What are the key properties of (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 113355176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).