2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine

C26H50N6 — CID 155370875

IUPAC2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine
SMILESCC(C)N1CCC2(CCNC(CC(C)N3CC(N)C3CC(C)N3CC4CCNC4C3)C2)C1
InChIInChI=1S/C26H50N6/c1-18(2)30-10-7-26(17-30)6-9-28-22(13-26)11-20(4)32-15-23(27)25(32)12-19(3)31-14-21-5-8-29-24(21)16-31/h18-25,28-29H,5-17,27H2,1-4H3
InChIKeyNDGYTJYBJYKCNX-UHFFFAOYSA-N
MW446.73 g/mol
LogP1.70
Rot. Bonds7

About 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine

2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine (PubChem CID 155370875) has the molecular formula C26H50N6 and a molecular weight of 446.73 g/mol. Its IUPAC name is 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine.

Molecular Properties

Compound Name2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine
PubChem CID155370875
Molecular FormulaC26H50N6
Molecular Weight446.73 g/mol
Exact Mass446.41
IUPAC Name2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine
SMILESCC(C)N1CCC2(CCNC(CC(C)N3CC(N)C3CC(C)N3CC4CCNC4C3)C2)C1
InChIInChI=1S/C26H50N6/c1-18(2)30-10-7-26(17-30)6-9-28-22(13-26)11-20(4)32-15-23(27)25(32)12-19(3)31-14-21-5-8-29-24(21)16-31/h18-25,28-29H,5-17,27H2,1-4H3
InChIKeyNDGYTJYBJYKCNX-UHFFFAOYSA-N
XLogP1.70
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.73
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine?
The IUPAC name of 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine (CID 155370875) is 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine.
What is the SMILES notation for 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine?
The canonical SMILES for 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine is CC(C)N1CCC2(CCNC(CC(C)N3CC(N)C3CC(C)N3CC4CCNC4C3)C2)C1.
What is the InChIKey of 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine?
The InChIKey is NDGYTJYBJYKCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N6/c1-18(2)30-10-7-26(17-30)6-9-28-22(13-26)11-20(4)32-15-23(27)25(32)12-19(3)31-14-21-5-8-29-24(21)16-31/h18-25,28-29H,5-17,27H2,1-4H3.
What are the key properties of 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine?
2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine has a molecular weight of 446.73 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propyl]-1-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-7-yl)propan-2-yl]azetidin-3-amine is sourced from PubChem (CID 155370875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).