1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol

C13H20N2O2 — CID 113414554

IUPAC1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)(Cc2cccnc2N)CC1
InChIInChI=1S/C13H20N2O2/c1-17-11-4-6-13(16,7-5-11)9-10-3-2-8-15-12(10)14/h2-3,8,11,16H,4-7,9H2,1H3,(H2,14,15)
InChIKeyRXASWDPOFISNAJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds3

About 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol

1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol (PubChem CID 113414554) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol
PubChem CID113414554
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)(Cc2cccnc2N)CC1
InChIInChI=1S/C13H20N2O2/c1-17-11-4-6-13(16,7-5-11)9-10-3-2-8-15-12(10)14/h2-3,8,11,16H,4-7,9H2,1H3,(H2,14,15)
InChIKeyRXASWDPOFISNAJ-UHFFFAOYSA-N
XLogP1.53
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol (CID 113414554) is 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol is COC1CCC(O)(Cc2cccnc2N)CC1.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol?
The InChIKey is RXASWDPOFISNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-11-4-6-13(16,7-5-11)9-10-3-2-8-15-12(10)14/h2-3,8,11,16H,4-7,9H2,1H3,(H2,14,15).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol?
1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 113414554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).