trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine

C17H25N3O — CID 69428580

IUPACtrans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCCc1c(O[C@H]2CCC[C@H](N(C)C)C2)ccc2[nH]ncc12
InChIInChI=1S/C17H25N3O/c1-4-14-15-11-18-19-16(15)8-9-17(14)21-13-7-5-6-12(10-13)20(2)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyFFFYEZRQIFXCBC-STQMWFEESA-N
MW287.41 g/mol
LogP3.38
Rot. Bonds4

About trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine

trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine (PubChem CID 69428580) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine
PubChem CID69428580
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Nametrans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCCc1c(O[C@H]2CCC[C@H](N(C)C)C2)ccc2[nH]ncc12
InChIInChI=1S/C17H25N3O/c1-4-14-15-11-18-19-16(15)8-9-17(14)21-13-7-5-6-12(10-13)20(2)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyFFFYEZRQIFXCBC-STQMWFEESA-N
XLogP3.38
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride
CID 18447462
N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
CID 69431824
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
CID 18447529
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
N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 22933733
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
CID 69432427
2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione
CID 18447549
cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 69434428
trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
CID 69435918
N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447506
N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447303

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine (CID 69428580) is trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine is CCc1c(O[C@H]2CCC[C@H](N(C)C)C2)ccc2[nH]ncc12.
What is the InChIKey of trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is FFFYEZRQIFXCBC-STQMWFEESA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-14-15-11-18-19-16(15)8-9-17(14)21-13-7-5-6-12(10-13)20(2)3/h8-9,11-13H,4-7,10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 69428580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).