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

C17H25N3O — CID 69435918

IUPACtrans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
SMILESCCCN[C@@H]1CCC[C@@H](Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C17H25N3O/c1-3-9-18-13-5-4-6-14(10-13)21-17-8-7-16-15(12(17)2)11-19-20-16/h7-8,11,13-14,18H,3-6,9-10H2,1-2H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyYPMLHKWZQZSUOY-ZIAGYGMSSA-N
MW287.41 g/mol
LogP3.56
Rot. Bonds5

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

trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine (PubChem CID 69435918) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
PubChem CID69435918
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Nametrans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
SMILESCCCN[C@@H]1CCC[C@@H](Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C17H25N3O/c1-3-9-18-13-5-4-6-14(10-13)21-17-8-7-16-15(12(17)2)11-19-20-16/h7-8,11,13-14,18H,3-6,9-10H2,1-2H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyYPMLHKWZQZSUOY-ZIAGYGMSSA-N
XLogP3.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447303
cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine
CID 69429735
N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447379
N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 18447475
N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447506
3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 18447481
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
CID 18447529
cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 69429590
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride
CID 18447582
N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]cyclopentanecarboxamide
CID 18447471
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
CID 69432427
N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
CID 69431824

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine (CID 69435918) is trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine is CCCN[C@@H]1CCC[C@@H](Oc2ccc3[nH]ncc3c2C)C1.
What is the InChIKey of trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine?
The InChIKey is YPMLHKWZQZSUOY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-9-18-13-5-4-6-14(10-13)21-17-8-7-16-15(12(17)2)11-19-20-16/h7-8,11,13-14,18H,3-6,9-10H2,1-2H3,(H,19,20)/t13-,14-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine?
trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 69435918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).