4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane

C9H18NP — CID 23419021

IUPAC4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane
SMILESCC1CCN2CCCP1CC2
InChIInChI=1S/C9H18NP/c1-9-3-5-10-4-2-7-11(9)8-6-10/h9H,2-8H2,1H3
InChIKeySEWUQOHAPOGGRC-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.97
Rot. Bonds

About 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane

4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane (PubChem CID 23419021) has the molecular formula C9H18NP and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane.

Molecular Properties

Compound Name4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane
PubChem CID23419021
Molecular FormulaC9H18NP
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane
SMILESCC1CCN2CCCP1CC2
InChIInChI=1S/C9H18NP/c1-9-3-5-10-4-2-7-11(9)8-6-10/h9H,2-8H2,1H3
InChIKeySEWUQOHAPOGGRC-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.97
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 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane?
The IUPAC name of 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane (CID 23419021) is 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane.
What is the SMILES notation for 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane?
The canonical SMILES for 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane is CC1CCN2CCCP1CC2.
What is the InChIKey of 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane?
The InChIKey is SEWUQOHAPOGGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NP/c1-9-3-5-10-4-2-7-11(9)8-6-10/h9H,2-8H2,1H3.
What are the key properties of 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane?
4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane has a molecular weight of 171.22 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-aza-5-phosphabicyclo[3.3.2]decane is sourced from PubChem (CID 23419021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).