2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C13H26N2O — CID 120844252

IUPAC2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCOCC(C)(C)CN1CC2CCC(N)C2C1
InChIInChI=1S/C13H26N2O/c1-13(2,9-16-3)8-15-6-10-4-5-12(14)11(10)7-15/h10-12H,4-9,14H2,1-3H3
InChIKeyOSVPZATYNBMPKC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 120844252) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID120844252
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCOCC(C)(C)CN1CC2CCC(N)C2C1
InChIInChI=1S/C13H26N2O/c1-13(2,9-16-3)8-15-6-10-4-5-12(14)11(10)7-15/h10-12H,4-9,14H2,1-3H3
InChIKeyOSVPZATYNBMPKC-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 120844252) is 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is COCC(C)(C)CN1CC2CCC(N)C2C1.
What is the InChIKey of 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is OSVPZATYNBMPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,9-16-3)8-15-6-10-4-5-12(14)11(10)7-15/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 120844252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).