4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol

C16H27N3O — CID 65115552

IUPAC4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CCCc3c2cnn3C)CC1
InChIInChI=1S/C16H27N3O/c1-12-6-8-16(20,9-7-12)11-17-14-4-3-5-15-13(14)10-18-19(15)2/h10,12,14,17,20H,3-9,11H2,1-2H3
InChIKeyBMWGFFNDIJKNPC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.33
Rot. Bonds3

About 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol

4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65115552) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65115552
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CCCc3c2cnn3C)CC1
InChIInChI=1S/C16H27N3O/c1-12-6-8-16(20,9-7-12)11-17-14-4-3-5-15-13(14)10-18-19(15)2/h10,12,14,17,20H,3-9,11H2,1-2H3
InChIKeyBMWGFFNDIJKNPC-UHFFFAOYSA-N
XLogP2.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122988
1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 136523674
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 115694381
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
1-methyl-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 47350095
4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953173
2,6-dimethyl-4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43435407
2-bromo-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 61391448
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
CID 43254668

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol (CID 65115552) is 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNC2CCCc3c2cnn3C)CC1.
What is the InChIKey of 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is BMWGFFNDIJKNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-6-8-16(20,9-7-12)11-17-14-4-3-5-15-13(14)10-18-19(15)2/h10,12,14,17,20H,3-9,11H2,1-2H3.
What are the key properties of 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).