cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine

C16H21N3 — CID 106657105

IUPACcyclohepten-1-yl-(1-methylindazol-3-yl)methanamine
SMILESCn1nc(C(N)C2=CCCCCC2)c2ccccc21
InChIInChI=1S/C16H21N3/c1-19-14-11-7-6-10-13(14)16(18-19)15(17)12-8-4-2-3-5-9-12/h6-8,10-11,15H,2-5,9,17H2,1H3
InChIKeySCLCFTWXMGSBJX-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.46
Rot. Bonds2

About cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine

cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine (PubChem CID 106657105) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-methylindazol-3-yl)methanamine
PubChem CID106657105
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Namecyclohepten-1-yl-(1-methylindazol-3-yl)methanamine
SMILESCn1nc(C(N)C2=CCCCCC2)c2ccccc21
InChIInChI=1S/C16H21N3/c1-19-14-11-7-6-10-13(14)16(18-19)15(17)12-8-4-2-3-5-9-12/h6-8,10-11,15H,2-5,9,17H2,1H3
InChIKeySCLCFTWXMGSBJX-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine 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

(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
(2,3-difluoro-4-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 107516114
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127986
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
3-(difluoromethyl)-1-methylindazole
CID 153487584
cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine
CID 106657216
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012
1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine
CID 103128236
(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine
CID 103126377
2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine
CID 106656768

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine?
The IUPAC name of cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine (CID 106657105) is cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine is Cn1nc(C(N)C2=CCCCCC2)c2ccccc21.
What is the InChIKey of cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine?
The InChIKey is SCLCFTWXMGSBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-14-11-7-6-10-13(14)16(18-19)15(17)12-8-4-2-3-5-9-12/h6-8,10-11,15H,2-5,9,17H2,1H3.
What are the key properties of cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine?
cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 106657105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).