ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane

C11H24NP — CID 177325541

IUPACethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane
SMILESCC.CC(C)N1C2CC(P)CC1C2
InChIInChI=1S/C9H18NP.C2H6/c1-6(2)10-7-3-8(10)5-9(11)4-7;1-2/h6-9H,3-5,11H2,1-2H3;1-2H3
InChIKeyYNJBGKFHYDPDRR-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.90
Rot. Bonds1

About ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane

ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane (PubChem CID 177325541) has the molecular formula C11H24NP and a molecular weight of 201.29 g/mol. Its IUPAC name is ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane.

Molecular Properties

Compound Nameethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane
PubChem CID177325541
Molecular FormulaC11H24NP
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Nameethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane
SMILESCC.CC(C)N1C2CC(P)CC1C2
InChIInChI=1S/C9H18NP.C2H6/c1-6(2)10-7-3-8(10)5-9(11)4-7;1-2/h6-9H,3-5,11H2,1-2H3;1-2H3
InChIKeyYNJBGKFHYDPDRR-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane?
The IUPAC name of ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane (CID 177325541) is ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane.
What is the SMILES notation for ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane?
The canonical SMILES for ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane is CC.CC(C)N1C2CC(P)CC1C2.
What is the InChIKey of ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane?
The InChIKey is YNJBGKFHYDPDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NP.C2H6/c1-6(2)10-7-3-8(10)5-9(11)4-7;1-2/h6-9H,3-5,11H2,1-2H3;1-2H3.
What are the key properties of ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane?
ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane has a molecular weight of 201.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane is sourced from PubChem (CID 177325541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).