N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine

C15H21N3 — CID 62446590

IUPACN-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine
SMILESCC(C)C(CNC1CC1)n1ncc2ccccc21
InChIInChI=1S/C15H21N3/c1-11(2)15(10-16-13-7-8-13)18-14-6-4-3-5-12(14)9-17-18/h3-6,9,11,13,15-16H,7-8,10H2,1-2H3
InChIKeyXHIHBMCYYOPNTK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.99
Rot. Bonds5

About N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine

N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine (PubChem CID 62446590) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine
PubChem CID62446590
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine
SMILESCC(C)C(CNC1CC1)n1ncc2ccccc21
InChIInChI=1S/C15H21N3/c1-11(2)15(10-16-13-7-8-13)18-14-6-4-3-5-12(14)9-17-18/h3-6,9,11,13,15-16H,7-8,10H2,1-2H3
InChIKeyXHIHBMCYYOPNTK-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine?
The IUPAC name of N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine (CID 62446590) is N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine is CC(C)C(CNC1CC1)n1ncc2ccccc21.
What is the InChIKey of N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine?
The InChIKey is XHIHBMCYYOPNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)15(10-16-13-7-8-13)18-14-6-4-3-5-12(14)9-17-18/h3-6,9,11,13,15-16H,7-8,10H2,1-2H3.
What are the key properties of N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine?
N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine has a molecular weight of 243.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine is sourced from PubChem (CID 62446590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).