[2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine

C12H21N3 — CID 105461216

IUPAC[2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
SMILESCC(C)Cn1nc2c(c1CN)CCCC2
InChIInChI=1S/C12H21N3/c1-9(2)8-15-12(7-13)10-5-3-4-6-11(10)14-15/h9H,3-8,13H2,1-2H3
InChIKeyPUPKJDYGOHOMCI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.88
Rot. Bonds3

About [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine

[2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine (PubChem CID 105461216) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
PubChem CID105461216
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name[2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
SMILESCC(C)Cn1nc2c(c1CN)CCCC2
InChIInChI=1S/C12H21N3/c1-9(2)8-15-12(7-13)10-5-3-4-6-11(10)14-15/h9H,3-8,13H2,1-2H3
InChIKeyPUPKJDYGOHOMCI-UHFFFAOYSA-N
XLogP1.88
TPSA43.84 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]methanamine
CID 121214351
3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole
CID 121214384
2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126857417
(2-cycloheptyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine
CID 105493701
2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 142262289
(2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 105439071
[6-methyl-1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 105479848
2-methyl-3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
CID 84687712
(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine
CID 112711134
2-[2-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]ethanamine
CID 121214368
(2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711119
(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711117

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine?
The IUPAC name of [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine (CID 105461216) is [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine.
What is the SMILES notation for [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine?
The canonical SMILES for [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine is CC(C)Cn1nc2c(c1CN)CCCC2.
What is the InChIKey of [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine?
The InChIKey is PUPKJDYGOHOMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)8-15-12(7-13)10-5-3-4-6-11(10)14-15/h9H,3-8,13H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine?
[2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine is sourced from PubChem (CID 105461216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).