(1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane

C13H23N2P — CID 59045136

IUPAC(1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane
SMILESC1CCC(P2N3CCC[C@H]3[C@@H]3CCCN32)C1
InChIInChI=1S/C13H23N2P/c1-2-6-11(5-1)16-14-9-3-7-12(14)13-8-4-10-15(13)16/h11-13H,1-10H2/t12-,13-/m0/s1
InChIKeyIVAOQVDDQUFNEL-STQMWFEESA-N
MW238.31 g/mol
LogP3.18
Rot. Bonds1

About (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane

(1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane (PubChem CID 59045136) has the molecular formula C13H23N2P and a molecular weight of 238.31 g/mol. Its IUPAC name is (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane.

Molecular Properties

Compound Name(1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane
PubChem CID59045136
Molecular FormulaC13H23N2P
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name(1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane
SMILESC1CCC(P2N3CCC[C@H]3[C@@H]3CCCN32)C1
InChIInChI=1S/C13H23N2P/c1-2-6-11(5-1)16-14-9-3-7-12(14)13-8-4-10-15(13)16/h11-13H,1-10H2/t12-,13-/m0/s1
InChIKeyIVAOQVDDQUFNEL-STQMWFEESA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane?
The IUPAC name of (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane (CID 59045136) is (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane.
What is the SMILES notation for (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane?
The canonical SMILES for (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane is C1CCC(P2N3CCC[C@H]3[C@@H]3CCCN32)C1.
What is the InChIKey of (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane?
The InChIKey is IVAOQVDDQUFNEL-STQMWFEESA-N. The full InChI is InChI=1S/C13H23N2P/c1-2-6-11(5-1)16-14-9-3-7-12(14)13-8-4-10-15(13)16/h11-13H,1-10H2/t12-,13-/m0/s1.
What are the key properties of (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane?
(1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane has a molecular weight of 238.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-7-cyclopentyl-6,8-diaza-7-phosphatricyclo[6.3.0.02,6]undecane is sourced from PubChem (CID 59045136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).