3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C16H32N2 — CID 144899570

IUPAC3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)CCN1CC2(C)CN(C(C)C)CC2(C)C1
InChIInChI=1S/C16H32N2/c1-13(2)7-8-17-9-15(5)11-18(14(3)4)12-16(15,6)10-17/h13-14H,7-12H2,1-6H3
InChIKeyRCKHWKQDIFWHGM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.08
Rot. Bonds4

About 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 144899570) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID144899570
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)CCN1CC2(C)CN(C(C)C)CC2(C)C1
InChIInChI=1S/C16H32N2/c1-13(2)7-8-17-9-15(5)11-18(14(3)4)12-16(15,6)10-17/h13-14H,7-12H2,1-6H3
InChIKeyRCKHWKQDIFWHGM-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 144899570) is 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CC(C)CCN1CC2(C)CN(C(C)C)CC2(C)C1.
What is the InChIKey of 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is RCKHWKQDIFWHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)7-8-17-9-15(5)11-18(14(3)4)12-16(15,6)10-17/h13-14H,7-12H2,1-6H3.
What are the key properties of 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 252.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 144899570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).