2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium

C21H48N2OPU- — CID 163701376

IUPAC2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium
SMILESCC(C)N(PN(C(C)C)C(C)C)C(C)C.C[C-](C)COCC(C)(C)C.[U]
InChIInChI=1S/C12H29N2P.C9H19O.U/c1-9(2)13(10(3)4)15-14(11(5)6)12(7)8;1-8(2)6-10-7-9(3,4)5;/h9-12,15H,1-8H3;6-7H2,1-5H3;/q;-1;
InChIKeyKVASJSAKMQIAFY-UHFFFAOYSA-N
MW613.63 g/mol
LogP6.40
Rot. Bonds9

About 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium

2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium (PubChem CID 163701376) has the molecular formula C21H48N2OPU- and a molecular weight of 613.63 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium
PubChem CID163701376
Molecular FormulaC21H48N2OPU-
Molecular Weight613.63 g/mol
Exact Mass613.40
IUPAC Name2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium
SMILESCC(C)N(PN(C(C)C)C(C)C)C(C)C.C[C-](C)COCC(C)(C)C.[U]
InChIInChI=1S/C12H29N2P.C9H19O.U/c1-9(2)13(10(3)4)15-14(11(5)6)12(7)8;1-8(2)6-10-7-9(3,4)5;/h9-12,15H,1-8H3;6-7H2,1-5H3;/q;-1;
InChIKeyKVASJSAKMQIAFY-UHFFFAOYSA-N
XLogP6.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.63
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
CID 58571431
N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 90129499
N-[(2-methylpropan-2-yl)oxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 16697631
1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol
CID 173433079
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane
CID 169306113
2-[1-[2-(2,2-dimethylpropoxy)ethoxy]propan-2-yloxy]ethyl methanesulfonate
CID 59271065
bis(2,2-dimethylpropyl) 2,3-bis(3-methylbutyl)butanedioate
CID 22241845
boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
CID 175110139
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium?
The IUPAC name of 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium (CID 163701376) is 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium?
The canonical SMILES for 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium is CC(C)N(PN(C(C)C)C(C)C)C(C)C.C[C-](C)COCC(C)(C)C.[U].
What is the InChIKey of 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium?
The InChIKey is KVASJSAKMQIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N2P.C9H19O.U/c1-9(2)13(10(3)4)15-14(11(5)6)12(7)8;1-8(2)6-10-7-9(3,4)5;/h9-12,15H,1-8H3;6-7H2,1-5H3;/q;-1;.
What are the key properties of 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium?
2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium has a molecular weight of 613.63 g/mol, XLogP of 6.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylpropoxy)propane;N-[di(propan-2-yl)amino]phosphanyl-N-propan-2-ylpropan-2-amine;uranium is sourced from PubChem (CID 163701376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).