1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane

C12H27N2P — CID 16694824

IUPAC1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane
SMILESCC1CCN(C(C)(C)C)PN1C(C)(C)C
InChIInChI=1S/C12H27N2P/c1-10-8-9-13(11(2,3)4)15-14(10)12(5,6)7/h10,15H,8-9H2,1-7H3
InChIKeyIEFASYWDULKXDF-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.49
Rot. Bonds

About 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane

1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane (PubChem CID 16694824) has the molecular formula C12H27N2P and a molecular weight of 230.34 g/mol. Its IUPAC name is 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane.

Molecular Properties

Compound Name1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane
PubChem CID16694824
Molecular FormulaC12H27N2P
Molecular Weight230.34 g/mol
Exact Mass230.19
IUPAC Name1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane
SMILESCC1CCN(C(C)(C)C)PN1C(C)(C)C
InChIInChI=1S/C12H27N2P/c1-10-8-9-13(11(2,3)4)15-14(10)12(5,6)7/h10,15H,8-9H2,1-7H3
InChIKeyIEFASYWDULKXDF-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane
CID 154614439
1-tert-butyl-2-methylaziridine
CID 15557486
2-methyl-1-sulfanylazetidine
CID 146506057
(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one
CID 139472829
(3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one
CID 66805490
(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol
CID 171159721
(2S)-2-methylazetidin-1-amine;hydrochloride
CID 156779796
1-iodo-2,5-dimethylpyrrolidine
CID 121369942
(2S,6R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146548367
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 176629920
2-methyl-1-prop-1-en-2-ylazetidine
CID 147661975
1-tert-butyl-2,4,6-trimethylazocane
CID 166882089

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane?
The IUPAC name of 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane (CID 16694824) is 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane.
What is the SMILES notation for 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane?
The canonical SMILES for 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane is CC1CCN(C(C)(C)C)PN1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane?
The InChIKey is IEFASYWDULKXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N2P/c1-10-8-9-13(11(2,3)4)15-14(10)12(5,6)7/h10,15H,8-9H2,1-7H3.
What are the key properties of 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane?
1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane has a molecular weight of 230.34 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-4-methyl-1,3,2-diazaphosphinane is sourced from PubChem (CID 16694824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).