2-indazol-1-yl-4-propylcyclohexan-1-amine

C16H23N3 — CID 55040739

IUPAC2-indazol-1-yl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(n2ncc3ccccc32)C1
InChIInChI=1S/C16H23N3/c1-2-5-12-8-9-14(17)16(10-12)19-15-7-4-3-6-13(15)11-18-19/h3-4,6-7,11-12,14,16H,2,5,8-10,17H2,1H3
InChIKeyXQTSXSOACLSRLU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.50
Rot. Bonds3

About 2-indazol-1-yl-4-propylcyclohexan-1-amine

2-indazol-1-yl-4-propylcyclohexan-1-amine (PubChem CID 55040739) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-indazol-1-yl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-indazol-1-yl-4-propylcyclohexan-1-amine
PubChem CID55040739
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-indazol-1-yl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(n2ncc3ccccc32)C1
InChIInChI=1S/C16H23N3/c1-2-5-12-8-9-14(17)16(10-12)19-15-7-4-3-6-13(15)11-18-19/h3-4,6-7,11-12,14,16H,2,5,8-10,17H2,1H3
InChIKeyXQTSXSOACLSRLU-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-indazol-1-yl-4-propylcyclohexan-1-amine 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

4-ethyl-2-indazol-1-ylcyclohexan-1-amine
CID 62139994
2-indazol-1-yl-4-propylcyclohexan-1-ol
CID 55040790
2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid
CID 63073741
2-indazol-1-ylcycloheptan-1-amine
CID 55040785
(2-indazol-1-ylcycloheptyl)methanamine
CID 62140360
[2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine
CID 43428668
1-(2-ethylcyclohexyl)indazol-6-amine
CID 63861782
2-naphthalen-1-yl-4-propylcyclohexan-1-amine
CID 81014619
2-indazol-1-yl-N-methylcycloheptan-1-amine
CID 62142065
4-propyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63468765
2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128171
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexan-1-amine
CID 54932872

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-indazol-1-yl-4-propylcyclohexan-1-amine (CID 55040739) is 2-indazol-1-yl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-indazol-1-yl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-indazol-1-yl-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(n2ncc3ccccc32)C1.
What is the InChIKey of 2-indazol-1-yl-4-propylcyclohexan-1-amine?
The InChIKey is XQTSXSOACLSRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-5-12-8-9-14(17)16(10-12)19-15-7-4-3-6-13(15)11-18-19/h3-4,6-7,11-12,14,16H,2,5,8-10,17H2,1H3.
What are the key properties of 2-indazol-1-yl-4-propylcyclohexan-1-amine?
2-indazol-1-yl-4-propylcyclohexan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 55040739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).