N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine

C12H21N3 — CID 65356397

IUPACN-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCNC1CCCc2c1cnn2CC(C)C
InChIInChI=1S/C12H21N3/c1-9(2)8-15-12-6-4-5-11(13-3)10(12)7-14-15/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeySYSRBBFHWAJZTG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds3

About N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine

N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 65356397) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID65356397
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCNC1CCCc2c1cnn2CC(C)C
InChIInChI=1S/C12H21N3/c1-9(2)8-15-12-6-4-5-11(13-3)10(12)7-14-15/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeySYSRBBFHWAJZTG-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 65356397) is N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine is CNC1CCCc2c1cnn2CC(C)C.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is SYSRBBFHWAJZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)8-15-12-6-4-5-11(13-3)10(12)7-14-15/h7,9,11,13H,4-6,8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine?
N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 65356397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).