1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine

C15H25N3 — CID 59514039

IUPAC1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine
SMILESCCCN(CC(C)C)C1=CC2C=NN(C)C2C=C1
InChIInChI=1S/C15H25N3/c1-5-8-18(11-12(2)3)14-6-7-15-13(9-14)10-16-17(15)4/h6-7,9-10,12-13,15H,5,8,11H2,1-4H3
InChIKeyQZEVNIOBORXYQF-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.72
Rot. Bonds5

About 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine

1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine (PubChem CID 59514039) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine
PubChem CID59514039
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine
SMILESCCCN(CC(C)C)C1=CC2C=NN(C)C2C=C1
InChIInChI=1S/C15H25N3/c1-5-8-18(11-12(2)3)14-6-7-15-13(9-14)10-16-17(15)4/h6-7,9-10,12-13,15H,5,8,11H2,1-4H3
InChIKeyQZEVNIOBORXYQF-UHFFFAOYSA-N
XLogP2.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine (CID 59514039) is 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine is CCCN(CC(C)C)C1=CC2C=NN(C)C2C=C1.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine?
The InChIKey is QZEVNIOBORXYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-8-18(11-12(2)3)14-6-7-15-13(9-14)10-16-17(15)4/h6-7,9-10,12-13,15H,5,8,11H2,1-4H3.
What are the key properties of 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine?
1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine has a molecular weight of 247.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine is sourced from PubChem (CID 59514039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).