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

C20H32ClN3O — CID 18447582

IUPAC3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CCCC(Oc2ccc3[nH]ncc3c2C)C1.Cl
InChIInChI=1S/C20H31N3O.ClH/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);1H
InChIKeyXXBGSZAHKWGKTH-UHFFFAOYSA-N
MW365.95 g/mol
LogP5.11
Rot. Bonds7

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

3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride (PubChem CID 18447582) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride
PubChem CID18447582
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC Name3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CCCC(Oc2ccc3[nH]ncc3c2C)C1.Cl
InChIInChI=1S/C20H31N3O.ClH/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);1H
InChIKeyXXBGSZAHKWGKTH-UHFFFAOYSA-N
XLogP5.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.95
LogP ≤ 55.11
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;hydrochloride?
The IUPAC name of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride (CID 18447582) is 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride is CCCN(CCC)C1CCCC(Oc2ccc3[nH]ncc3c2C)C1.Cl.
What is the InChIKey of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride?
The InChIKey is XXBGSZAHKWGKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.ClH/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);1H.
What are the key properties of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride?
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 5.11, 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;hydrochloride is sourced from PubChem (CID 18447582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).