N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride

C19H30ClN3O — CID 18447475

IUPACN-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
SMILESCc1c(OC2CCCC(NCC(C)(C)C)C2)ccc2[nH]ncc12.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-13-16-11-21-22-17(16)8-9-18(13)23-15-7-5-6-14(10-15)20-12-19(2,3)4;/h8-9,11,14-15,20H,5-7,10,12H2,1-4H3,(H,21,22);1H
InChIKeyXOFZZSYRUOIUTM-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.62
Rot. Bonds4

About N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride

N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride (PubChem CID 18447475) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
PubChem CID18447475
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC NameN-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
SMILESCc1c(OC2CCCC(NCC(C)(C)C)C2)ccc2[nH]ncc12.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-13-16-11-21-22-17(16)8-9-18(13)23-15-7-5-6-14(10-15)20-12-19(2,3)4;/h8-9,11,14-15,20H,5-7,10,12H2,1-4H3,(H,21,22);1H
InChIKeyXOFZZSYRUOIUTM-UHFFFAOYSA-N
XLogP4.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
CID 69435918
N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447303
N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447379
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
3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 18447481
cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 69429590
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
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride
CID 18447582
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
CID 18447529
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 N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride?
The IUPAC name of N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride (CID 18447475) is N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride is Cc1c(OC2CCCC(NCC(C)(C)C)C2)ccc2[nH]ncc12.Cl.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride?
The InChIKey is XOFZZSYRUOIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.ClH/c1-13-16-11-21-22-17(16)8-9-18(13)23-15-7-5-6-14(10-15)20-12-19(2,3)4;/h8-9,11,14-15,20H,5-7,10,12H2,1-4H3,(H,21,22);1H.
What are the key properties of N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride?
N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride has a molecular weight of 351.92 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 18447475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).