2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol

C16H23N3O — CID 64983121

IUPAC2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1nc(CNCC2CCCCC2O)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-19-15-8-4-3-7-13(15)14(18-19)11-17-10-12-6-2-5-9-16(12)20/h3-4,7-8,12,16-17,20H,2,5-6,9-11H2,1H3
InChIKeyKDRWCCQDFBKCRX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.21
Rot. Bonds4

About 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64983121) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64983121
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1nc(CNCC2CCCCC2O)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-19-15-8-4-3-7-13(15)14(18-19)11-17-10-12-6-2-5-9-16(12)20/h3-4,7-8,12,16-17,20H,2,5-6,9-11H2,1H3
InChIKeyKDRWCCQDFBKCRX-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63000865
1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 62999542
N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
CID 63379463
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
CID 83235470
2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 143507194
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
[1-[[(1-methylindazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479073
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905509
N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine
CID 113256963
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 64983121) is 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol is Cn1nc(CNCC2CCCCC2O)c2ccccc21.
What is the InChIKey of 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is KDRWCCQDFBKCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-15-8-4-3-7-13(15)14(18-19)11-17-10-12-6-2-5-9-16(12)20/h3-4,7-8,12,16-17,20H,2,5-6,9-11H2,1H3.
What are the key properties of 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64983121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).