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

C14H28N2O — CID 114357560

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CC2CCCC2C1
InChIInChI=1S/C14H28N2O/c1-10(2)6-13(15)14(9-17)16-7-11-4-3-5-12(11)8-16/h10-14,17H,3-9,15H2,1-2H3
InChIKeyOSVWVZISEVLJKH-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.45
Rot. Bonds5

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol (PubChem CID 114357560) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol
PubChem CID114357560
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CC2CCCC2C1
InChIInChI=1S/C14H28N2O/c1-10(2)6-13(15)14(9-17)16-7-11-4-3-5-12(11)8-16/h10-14,17H,3-9,15H2,1-2H3
InChIKeyOSVWVZISEVLJKH-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol (CID 114357560) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol is CC(C)CC(N)C(CO)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol?
The InChIKey is OSVWVZISEVLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)6-13(15)14(9-17)16-7-11-4-3-5-12(11)8-16/h10-14,17H,3-9,15H2,1-2H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol is sourced from PubChem (CID 114357560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).