3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide

C25H44N2O2 — CID 74443529

IUPAC3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide
SMILESCC1(O)CCC2(CCC(=O)NC3CC3)C(NCC3CCCCC3)CC(C)(C)C2C1
InChIInChI=1S/C25H44N2O2/c1-23(2)16-21(26-17-18-7-5-4-6-8-18)25(12-11-22(28)27-19-9-10-19)14-13-24(3,29)15-20(23)25/h18-21,26,29H,4-17H2,1-3H3,(H,27,28)
InChIKeyHGRRFGYXQVDQTB-UHFFFAOYSA-N
MW404.64 g/mol
LogP4.55
Rot. Bonds7

About 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide

3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide (PubChem CID 74443529) has the molecular formula C25H44N2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide
PubChem CID74443529
Molecular FormulaC25H44N2O2
Molecular Weight404.64 g/mol
Exact Mass404.34
IUPAC Name3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide
SMILESCC1(O)CCC2(CCC(=O)NC3CC3)C(NCC3CCCCC3)CC(C)(C)C2C1
InChIInChI=1S/C25H44N2O2/c1-23(2)16-21(26-17-18-7-5-4-6-8-18)25(12-11-22(28)27-19-9-10-19)14-13-24(3,29)15-20(23)25/h18-21,26,29H,4-17H2,1-3H3,(H,27,28)
InChIKeyHGRRFGYXQVDQTB-UHFFFAOYSA-N
XLogP4.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide (CID 74443529) is 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide is CC1(O)CCC2(CCC(=O)NC3CC3)C(NCC3CCCCC3)CC(C)(C)C2C1.
What is the InChIKey of 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide?
The InChIKey is HGRRFGYXQVDQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O2/c1-23(2)16-21(26-17-18-7-5-4-6-8-18)25(12-11-22(28)27-19-9-10-19)14-13-24(3,29)15-20(23)25/h18-21,26,29H,4-17H2,1-3H3,(H,27,28).
What are the key properties of 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide?
3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide has a molecular weight of 404.64 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 74443529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).