6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine

C15H22N4 — CID 107490640

IUPAC6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine
SMILESCC1(C)CCCCC1Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C15H22N4/c1-15(2)6-4-3-5-14(15)18-13-8-12-10(7-11(13)16)9-17-19-12/h7-9,14,18H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyCBZUHDDPLHJICK-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.53
Rot. Bonds2

About 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine

6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine (PubChem CID 107490640) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine
PubChem CID107490640
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine
SMILESCC1(C)CCCCC1Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C15H22N4/c1-15(2)6-4-3-5-14(15)18-13-8-12-10(7-11(13)16)9-17-19-12/h7-9,14,18H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyCBZUHDDPLHJICK-UHFFFAOYSA-N
XLogP3.53
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine (CID 107490640) is 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine is CC1(C)CCCCC1Nc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine?
The InChIKey is CBZUHDDPLHJICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2)6-4-3-5-14(15)18-13-8-12-10(7-11(13)16)9-17-19-12/h7-9,14,18H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine?
6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).