2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine

C15H27F2N3 — CID 123723512

IUPAC2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
SMILESCN(C)N1CC2CN(CC3CCC(F)(F)CC3)CC2C1
InChIInChI=1S/C15H27F2N3/c1-18(2)20-10-13-8-19(9-14(13)11-20)7-12-3-5-15(16,17)6-4-12/h12-14H,3-11H2,1-2H3
InChIKeyGDKLMSZTHXZALN-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.15
Rot. Bonds3

About 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine

2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine (PubChem CID 123723512) has the molecular formula C15H27F2N3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
PubChem CID123723512
Molecular FormulaC15H27F2N3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
SMILESCN(C)N1CC2CN(CC3CCC(F)(F)CC3)CC2C1
InChIInChI=1S/C15H27F2N3/c1-18(2)20-10-13-8-19(9-14(13)11-20)7-12-3-5-15(16,17)6-4-12/h12-14H,3-11H2,1-2H3
InChIKeyGDKLMSZTHXZALN-UHFFFAOYSA-N
XLogP2.15
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-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-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine (CID 123723512) is 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine is CN(C)N1CC2CN(CC3CCC(F)(F)CC3)CC2C1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The InChIKey is GDKLMSZTHXZALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3/c1-18(2)20-10-13-8-19(9-14(13)11-20)7-12-3-5-15(16,17)6-4-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine has a molecular weight of 287.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)methyl]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine is sourced from PubChem (CID 123723512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).