2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine

C18H31N3 — CID 82592884

IUPAC2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine
SMILESCC(C)c1nn(C2CCCCC2)c2c1C(CCN)CCC2
InChIInChI=1S/C18H31N3/c1-13(2)18-17-14(11-12-19)7-6-10-16(17)21(20-18)15-8-4-3-5-9-15/h13-15H,3-12,19H2,1-2H3
InChIKeyRTXMDNMBDFMCND-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.28
Rot. Bonds4

About 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine

2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine (PubChem CID 82592884) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine
PubChem CID82592884
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine
SMILESCC(C)c1nn(C2CCCCC2)c2c1C(CCN)CCC2
InChIInChI=1S/C18H31N3/c1-13(2)18-17-14(11-12-19)7-6-10-16(17)21(20-18)15-8-4-3-5-9-15/h13-15H,3-12,19H2,1-2H3
InChIKeyRTXMDNMBDFMCND-UHFFFAOYSA-N
XLogP4.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine (CID 82592884) is 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine is CC(C)c1nn(C2CCCCC2)c2c1C(CCN)CCC2.
What is the InChIKey of 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine?
The InChIKey is RTXMDNMBDFMCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13(2)18-17-14(11-12-19)7-6-10-16(17)21(20-18)15-8-4-3-5-9-15/h13-15H,3-12,19H2,1-2H3.
What are the key properties of 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine?
2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine has a molecular weight of 289.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)ethanamine is sourced from PubChem (CID 82592884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).