2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine

C15H28N4 — CID 82593304

IUPAC2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
SMILESCC(C)c1nn(CCN(C)C)c2c1C(CN)CCC2
InChIInChI=1S/C15H28N4/c1-11(2)15-14-12(10-16)6-5-7-13(14)19(17-15)9-8-18(3)4/h11-12H,5-10,16H2,1-4H3
InChIKeyBJJJWHLXRCSUAQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.95
Rot. Bonds5

About 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine

2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine (PubChem CID 82593304) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
PubChem CID82593304
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
SMILESCC(C)c1nn(CCN(C)C)c2c1C(CN)CCC2
InChIInChI=1S/C15H28N4/c1-11(2)15-14-12(10-16)6-5-7-13(14)19(17-15)9-8-18(3)4/h11-12H,5-10,16H2,1-4H3
InChIKeyBJJJWHLXRCSUAQ-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine 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 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine (CID 82593304) is 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine is CC(C)c1nn(CCN(C)C)c2c1C(CN)CCC2.
What is the InChIKey of 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is BJJJWHLXRCSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-11(2)15-14-12(10-16)6-5-7-13(14)19(17-15)9-8-18(3)4/h11-12H,5-10,16H2,1-4H3.
What are the key properties of 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine?
2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 264.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82593304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).