3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine

C17H27N3 — CID 102905509

IUPAC3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1nn(C)c2ccccc12)C(C)C
InChIInChI=1S/C17H27N3/c1-12(2)15(13(3)4)10-18-11-16-14-8-6-7-9-17(14)20(5)19-16/h6-9,12-13,15,18H,10-11H2,1-5H3
InChIKeyAAHJZSLCVVTDLP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.59
Rot. Bonds6

About 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine

3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102905509) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
PubChem CID102905509
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1nn(C)c2ccccc12)C(C)C
InChIInChI=1S/C17H27N3/c1-12(2)15(13(3)4)10-18-11-16-14-8-6-7-9-17(14)20(5)19-16/h6-9,12-13,15,18H,10-11H2,1-5H3
InChIKeyAAHJZSLCVVTDLP-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine (CID 102905509) is 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1nn(C)c2ccccc12)C(C)C.
What is the InChIKey of 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is AAHJZSLCVVTDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(2)15(13(3)4)10-18-11-16-14-8-6-7-9-17(14)20(5)19-16/h6-9,12-13,15,18H,10-11H2,1-5H3.
What are the key properties of 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102905509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).