2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol

C13H24N2O — CID 24870578

IUPAC2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC1=NCCCC1
InChIInChI=1S/C13H24N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h11,13-14,16H,1-10H2
InChIKeyWSAPDSLZTARUAC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.75
Rot. Bonds4

About 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol

2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 24870578) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID24870578
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC1=NCCCC1
InChIInChI=1S/C13H24N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h11,13-14,16H,1-10H2
InChIKeyWSAPDSLZTARUAC-UHFFFAOYSA-N
XLogP1.75
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol (CID 24870578) is 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNCC1=NCCCC1.
What is the InChIKey of 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is WSAPDSLZTARUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h11,13-14,16H,1-10H2.
What are the key properties of 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol?
2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5-tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 24870578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).