3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol

C16H28N2O — CID 115562636

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CN1CC2CCCC2C1)(NC1CC1)C1CC1
InChIInChI=1S/C16H28N2O/c19-11-16(14-4-5-14,17-15-6-7-15)10-18-8-12-2-1-3-13(12)9-18/h12-15,17,19H,1-11H2
InChIKeyOGLAJZXKFZUKPD-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.61
Rot. Bonds6

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol (PubChem CID 115562636) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
PubChem CID115562636
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CN1CC2CCCC2C1)(NC1CC1)C1CC1
InChIInChI=1S/C16H28N2O/c19-11-16(14-4-5-14,17-15-6-7-15)10-18-8-12-2-1-3-13(12)9-18/h12-15,17,19H,1-11H2
InChIKeyOGLAJZXKFZUKPD-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol (CID 115562636) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol is OCC(CN1CC2CCCC2C1)(NC1CC1)C1CC1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
The InChIKey is OGLAJZXKFZUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-11-16(14-4-5-14,17-15-6-7-15)10-18-8-12-2-1-3-13(12)9-18/h12-15,17,19H,1-11H2.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 115562636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).