2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C14H28N2O — CID 113399560

IUPAC2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCNC(C)C(C)(C)CN1CC2CCC(O)C2C1
InChIInChI=1S/C14H28N2O/c1-10(15-4)14(2,3)9-16-7-11-5-6-13(17)12(11)8-16/h10-13,15,17H,5-9H2,1-4H3
InChIKeyZZMIWKXSGFVCAA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.32
Rot. Bonds4

About 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 113399560) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID113399560
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCNC(C)C(C)(C)CN1CC2CCC(O)C2C1
InChIInChI=1S/C14H28N2O/c1-10(15-4)14(2,3)9-16-7-11-5-6-13(17)12(11)8-16/h10-13,15,17H,5-9H2,1-4H3
InChIKeyZZMIWKXSGFVCAA-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 113399560) is 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CNC(C)C(C)(C)CN1CC2CCC(O)C2C1.
What is the InChIKey of 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is ZZMIWKXSGFVCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(15-4)14(2,3)9-16-7-11-5-6-13(17)12(11)8-16/h10-13,15,17H,5-9H2,1-4H3.
What are the key properties of 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 240.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 113399560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).