4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane

C11H25N2P — CID 90895376

IUPAC4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane
SMILESCC(C)N1PN(C(C)C)C(C)CC1C
InChIInChI=1S/C11H25N2P/c1-8(2)12-10(5)7-11(6)13(14-12)9(3)4/h8-11,14H,7H2,1-6H3
InChIKeyYYWHLQDKRYSKJB-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.10
Rot. Bonds2

About 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane

4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane (PubChem CID 90895376) has the molecular formula C11H25N2P and a molecular weight of 216.31 g/mol. Its IUPAC name is 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane.

Molecular Properties

Compound Name4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane
PubChem CID90895376
Molecular FormulaC11H25N2P
Molecular Weight216.31 g/mol
Exact Mass216.18
IUPAC Name4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane
SMILESCC(C)N1PN(C(C)C)C(C)CC1C
InChIInChI=1S/C11H25N2P/c1-8(2)12-10(5)7-11(6)13(14-12)9(3)4/h8-11,14H,7H2,1-6H3
InChIKeyYYWHLQDKRYSKJB-UHFFFAOYSA-N
XLogP3.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.10
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 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane?
The IUPAC name of 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane (CID 90895376) is 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane.
What is the SMILES notation for 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane?
The canonical SMILES for 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane is CC(C)N1PN(C(C)C)C(C)CC1C.
What is the InChIKey of 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane?
The InChIKey is YYWHLQDKRYSKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2P/c1-8(2)12-10(5)7-11(6)13(14-12)9(3)4/h8-11,14H,7H2,1-6H3.
What are the key properties of 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane?
4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane has a molecular weight of 216.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane is sourced from PubChem (CID 90895376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).