2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide

C9H21N2OP — CID 164842805

IUPAC2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide
SMILESCN1CCCN(C)P1(=O)C(C)(C)C
InChIInChI=1S/C9H21N2OP/c1-9(2,3)13(12)10(4)7-6-8-11(13)5/h6-8H2,1-5H3
InChIKeyKFTCDZXJHIJIBK-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.25
Rot. Bonds

About 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide

2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide (PubChem CID 164842805) has the molecular formula C9H21N2OP and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide.

Molecular Properties

Compound Name2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide
PubChem CID164842805
Molecular FormulaC9H21N2OP
Molecular Weight204.25 g/mol
Exact Mass204.14
IUPAC Name2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide
SMILESCN1CCCN(C)P1(=O)C(C)(C)C
InChIInChI=1S/C9H21N2OP/c1-9(2,3)13(12)10(4)7-6-8-11(13)5/h6-8H2,1-5H3
InChIKeyKFTCDZXJHIJIBK-UHFFFAOYSA-N
XLogP2.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-ditert-butylpyrazolidine
CID 5242023
1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 158158962
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide
CID 70668311
2,2-dimethylpropanal;1-methylpyrrolidine
CID 142864246
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1-tert-butyl-2,2,3,3-tetradeuteriopyrrolidine
CID 140872224
1-tert-butyl-2,3,3-trideuteriopyrrolidine
CID 140872173
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 65297555
3-tert-butyl-4-methylpiperazine-2,6-dione
CID 130597254
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide?
The IUPAC name of 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide (CID 164842805) is 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide.
What is the SMILES notation for 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide?
The canonical SMILES for 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide is CN1CCCN(C)P1(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide?
The InChIKey is KFTCDZXJHIJIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2OP/c1-9(2,3)13(12)10(4)7-6-8-11(13)5/h6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide?
2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide has a molecular weight of 204.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide is sourced from PubChem (CID 164842805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).