3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine

C25H48N4 — CID 70927513

IUPAC3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine
SMILESNNC(N)CCC1CCC2C(C1)C(CCC1CCCCC1)CN2C1CCCCC1
InChIInChI=1S/C25H48N4/c26-25(28-27)16-13-20-12-15-24-23(17-20)21(14-11-19-7-3-1-4-8-19)18-29(24)22-9-5-2-6-10-22/h19-25,28H,1-18,26-27H2
InChIKeyNOEUJMZMUNQWSY-UHFFFAOYSA-N
MW404.69 g/mol
LogP4.92
Rot. Bonds8

About 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine

3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine (PubChem CID 70927513) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine.

Molecular Properties

Compound Name3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine
PubChem CID70927513
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine
SMILESNNC(N)CCC1CCC2C(C1)C(CCC1CCCCC1)CN2C1CCCCC1
InChIInChI=1S/C25H48N4/c26-25(28-27)16-13-20-12-15-24-23(17-20)21(14-11-19-7-3-1-4-8-19)18-29(24)22-9-5-2-6-10-22/h19-25,28H,1-18,26-27H2
InChIKeyNOEUJMZMUNQWSY-UHFFFAOYSA-N
XLogP4.92
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine?
The IUPAC name of 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine (CID 70927513) is 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine.
What is the SMILES notation for 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine?
The canonical SMILES for 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine is NNC(N)CCC1CCC2C(C1)C(CCC1CCCCC1)CN2C1CCCCC1.
What is the InChIKey of 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine?
The InChIKey is NOEUJMZMUNQWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4/c26-25(28-27)16-13-20-12-15-24-23(17-20)21(14-11-19-7-3-1-4-8-19)18-29(24)22-9-5-2-6-10-22/h19-25,28H,1-18,26-27H2.
What are the key properties of 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine?
3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine has a molecular weight of 404.69 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine is sourced from PubChem (CID 70927513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).