2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol

C16H23N3O — CID 111969476

IUPAC2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol
SMILESCC1(CNCc2cccc3cn[nH]c23)CCCCC1O
InChIInChI=1S/C16H23N3O/c1-16(8-3-2-7-14(16)20)11-17-9-12-5-4-6-13-10-18-19-15(12)13/h4-6,10,14,17,20H,2-3,7-9,11H2,1H3,(H,18,19)
InChIKeyURNFVALKIDKBBC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.59
Rot. Bonds4

About 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol

2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol (PubChem CID 111969476) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol
PubChem CID111969476
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol
SMILESCC1(CNCc2cccc3cn[nH]c23)CCCCC1O
InChIInChI=1S/C16H23N3O/c1-16(8-3-2-7-14(16)20)11-17-9-12-5-4-6-13-10-18-19-15(12)13/h4-6,10,14,17,20H,2-3,7-9,11H2,1H3,(H,18,19)
InChIKeyURNFVALKIDKBBC-UHFFFAOYSA-N
XLogP2.59
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol (CID 111969476) is 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol is CC1(CNCc2cccc3cn[nH]c23)CCCCC1O.
What is the InChIKey of 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol?
The InChIKey is URNFVALKIDKBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(8-3-2-7-14(16)20)11-17-9-12-5-4-6-13-10-18-19-15(12)13/h4-6,10,14,17,20H,2-3,7-9,11H2,1H3,(H,18,19).
What are the key properties of 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol?
2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 111969476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).