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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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).