2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine

C15H23N3 — CID 62449392

IUPAC2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C(C)C)n1ncc2ccccc21
InChIInChI=1S/C15H23N3/c1-11(2)15(10-16-12(3)4)18-14-8-6-5-7-13(14)9-17-18/h5-9,11-12,15-16H,10H2,1-4H3
InChIKeyXQQTZRPFMWNDFE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.23
Rot. Bonds5

About 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine

2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62449392) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62449392
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C(C)C)n1ncc2ccccc21
InChIInChI=1S/C15H23N3/c1-11(2)15(10-16-12(3)4)18-14-8-6-5-7-13(14)9-17-18/h5-9,11-12,15-16H,10H2,1-4H3
InChIKeyXQQTZRPFMWNDFE-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine
CID 62446590
N-(2-indazol-1-ylpropyl)cyclohexanamine
CID 62566411
N-ethyl-2-indazol-1-yl-2-phenylethanamine
CID 62448087
N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
CID 62141700
N-[[4-(indazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62449389
2-indazol-1-yl-3-methylbutanehydrazide
CID 63577978
5-indazol-1-yl-N-propan-2-ylpentan-1-amine
CID 62449017
1-propan-2-yloxyindazole
CID 141134934
4-(1-indazol-1-ylethyl)phenol
CID 175418452
1-[1-(4-fluorophenyl)ethyl]indazole
CID 173016436
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
N-[(2-indazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62293767

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine (CID 62449392) is 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C(C)C)n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is XQQTZRPFMWNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)15(10-16-12(3)4)18-14-8-6-5-7-13(14)9-17-18/h5-9,11-12,15-16H,10H2,1-4H3.
What are the key properties of 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine?
2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62449392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).