3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine

C20H31N3O — CID 18447529

IUPAC3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
SMILESCCCN(CCC)C1CCCC(Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C20H31N3O/c1-4-11-23(12-5-2)16-7-6-8-17(13-16)24-20-10-9-19-18(15(20)3)14-21-22-19/h9-10,14,16-17H,4-8,11-13H2,1-3H3,(H,21,22)
InChIKeyBSHNDMDOVZOHSV-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.68
Rot. Bonds7

About 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine

3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine (PubChem CID 18447529) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
PubChem CID18447529
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
SMILESCCCN(CCC)C1CCCC(Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C20H31N3O/c1-4-11-23(12-5-2)16-7-6-8-17(13-16)24-20-10-9-19-18(15(20)3)14-21-22-19/h9-10,14,16-17H,4-8,11-13H2,1-3H3,(H,21,22)
InChIKeyBSHNDMDOVZOHSV-UHFFFAOYSA-N
XLogP4.68
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride
CID 18447582
N-methyl-N-[(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]aniline
CID 69432381
trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
CID 69435918
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
CID 69432427
N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447303
trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 69428580
cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine
CID 69429735
N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447506
N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447379
3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride
CID 18447462
N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 18447475
4-methyl-5-[(1S,3S)-3-(2-nitropropan-2-yl)cyclohexyl]oxy-1H-indazole
CID 69430739

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine?
The IUPAC name of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine (CID 18447529) is 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine.
What is the SMILES notation for 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine?
The canonical SMILES for 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine is CCCN(CCC)C1CCCC(Oc2ccc3[nH]ncc3c2C)C1.
What is the InChIKey of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine?
The InChIKey is BSHNDMDOVZOHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-4-11-23(12-5-2)16-7-6-8-17(13-16)24-20-10-9-19-18(15(20)3)14-21-22-19/h9-10,14,16-17H,4-8,11-13H2,1-3H3,(H,21,22).
What are the key properties of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine?
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine has a molecular weight of 329.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine is sourced from PubChem (CID 18447529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).