2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol

C14H23N3O — CID 131703512

IUPAC2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol
SMILESCN(C)c1cc(CNC2CCCCC2O)ccn1
InChIInChI=1S/C14H23N3O/c1-17(2)14-9-11(7-8-15-14)10-16-12-5-3-4-6-13(12)18/h7-9,12-13,16,18H,3-6,10H2,1-2H3
InChIKeySPRCVGDRABNUQT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.54
Rot. Bonds4

About 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol

2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol (PubChem CID 131703512) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol
PubChem CID131703512
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol
SMILESCN(C)c1cc(CNC2CCCCC2O)ccn1
InChIInChI=1S/C14H23N3O/c1-17(2)14-9-11(7-8-15-14)10-16-12-5-3-4-6-13(12)18/h7-9,12-13,16,18H,3-6,10H2,1-2H3
InChIKeySPRCVGDRABNUQT-UHFFFAOYSA-N
XLogP1.54
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol (CID 131703512) is 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol is CN(C)c1cc(CNC2CCCCC2O)ccn1.
What is the InChIKey of 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol?
The InChIKey is SPRCVGDRABNUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(2)14-9-11(7-8-15-14)10-16-12-5-3-4-6-13(12)18/h7-9,12-13,16,18H,3-6,10H2,1-2H3.
What are the key properties of 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol?
2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 131703512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).