3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol

C16H23N3O — CID 111467589

IUPAC3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cccn2c(CNCC3CCCC(O)C3)cnc12
InChIInChI=1S/C16H23N3O/c1-12-4-3-7-19-14(11-18-16(12)19)10-17-9-13-5-2-6-15(20)8-13/h3-4,7,11,13,15,17,20H,2,5-6,8-10H2,1H3
InChIKeyUSUKFSLYZACDCI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds4

About 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol

3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 111467589) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID111467589
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cccn2c(CNCC3CCCC(O)C3)cnc12
InChIInChI=1S/C16H23N3O/c1-12-4-3-7-19-14(11-18-16(12)19)10-17-9-13-5-2-6-15(20)8-13/h3-4,7,11,13,15,17,20H,2,5-6,8-10H2,1H3
InChIKeyUSUKFSLYZACDCI-UHFFFAOYSA-N
XLogP2.28
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 111467589) is 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol is Cc1cccn2c(CNCC3CCCC(O)C3)cnc12.
What is the InChIKey of 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is USUKFSLYZACDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-4-3-7-19-14(11-18-16(12)19)10-17-9-13-5-2-6-15(20)8-13/h3-4,7,11,13,15,17,20H,2,5-6,8-10H2,1H3.
What are the key properties of 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol?
3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111467589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).