(3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane

C26H50N2 — CID 126542652

IUPAC(3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane
SMILESCC(C)[C@@H]1C[C@H](CCCC(C)N2CC3(CCCC3)C[C@H]2C(C)C)CN1C(C)C
InChIInChI=1S/C26H50N2/c1-19(2)24-15-23(17-27(24)21(5)6)12-10-11-22(7)28-18-26(13-8-9-14-26)16-25(28)20(3)4/h19-25H,8-18H2,1-7H3/t22?,23-,24-,25-/m0/s1
InChIKeyIRYSEFKBIWGGOF-ZDZYZNPZSA-N
MW390.70 g/mol
LogP6.59
Rot. Bonds8

About (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane

(3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane (PubChem CID 126542652) has the molecular formula C26H50N2 and a molecular weight of 390.70 g/mol. Its IUPAC name is (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane
PubChem CID126542652
Molecular FormulaC26H50N2
Molecular Weight390.70 g/mol
Exact Mass390.40
IUPAC Name(3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane
SMILESCC(C)[C@@H]1C[C@H](CCCC(C)N2CC3(CCCC3)C[C@H]2C(C)C)CN1C(C)C
InChIInChI=1S/C26H50N2/c1-19(2)24-15-23(17-27(24)21(5)6)12-10-11-22(7)28-18-26(13-8-9-14-26)16-25(28)20(3)4/h19-25H,8-18H2,1-7H3/t22?,23-,24-,25-/m0/s1
InChIKeyIRYSEFKBIWGGOF-ZDZYZNPZSA-N
XLogP6.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane?
The IUPAC name of (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane (CID 126542652) is (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane.
What is the SMILES notation for (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane?
The canonical SMILES for (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane is CC(C)[C@@H]1C[C@H](CCCC(C)N2CC3(CCCC3)C[C@H]2C(C)C)CN1C(C)C.
What is the InChIKey of (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane?
The InChIKey is IRYSEFKBIWGGOF-ZDZYZNPZSA-N. The full InChI is InChI=1S/C26H50N2/c1-19(2)24-15-23(17-27(24)21(5)6)12-10-11-22(7)28-18-26(13-8-9-14-26)16-25(28)20(3)4/h19-25H,8-18H2,1-7H3/t22?,23-,24-,25-/m0/s1.
What are the key properties of (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane?
(3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane has a molecular weight of 390.70 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 126542652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).