1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)

C40H92N4 — CID 158241529

IUPAC1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.[H]/N=C(\C([2H])[2H])C(C)(C)C.[H]/N=C(\C)C(C)(C)C.[H]/N=C(\C)C(C)(C)C.[H]/N=C(\C[2H])C(C)(C)C
InChIInChI=1S/4C6H13N.4C4H10/c4*1-5(7)6(2,3)4;4*1-4(2)3/h4*7H,1-4H3;4*4H,1-3H3/b4*7-5+;;;;/i1D2;1D;;;;;;
InChIKeyGFPDDJBJENFFFN-VEDWRMEISA-N
MW632.22 g/mol
LogP14.94
Rot. Bonds2

About 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)

1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane) (PubChem CID 158241529) has the molecular formula C40H92N4 and a molecular weight of 632.22 g/mol. Its IUPAC name is 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane).

Molecular Properties

Compound Name1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)
PubChem CID158241529
Molecular FormulaC40H92N4
Molecular Weight632.22 g/mol
Exact Mass631.75
IUPAC Name1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.[H]/N=C(\C([2H])[2H])C(C)(C)C.[H]/N=C(\C)C(C)(C)C.[H]/N=C(\C)C(C)(C)C.[H]/N=C(\C[2H])C(C)(C)C
InChIInChI=1S/4C6H13N.4C4H10/c4*1-5(7)6(2,3)4;4*1-4(2)3/h4*7H,1-4H3;4*4H,1-3H3/b4*7-5+;;;;/i1D2;1D;;;;;;
InChIKeyGFPDDJBJENFFFN-VEDWRMEISA-N
XLogP14.94
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.22
LogP ≤ 514.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane) with MolForge

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Related Compounds

azane;3,3-dimethylbutan-2-imine;hydrofluoride
CID 144859104
3-imino-2-methylbutane-2-thiol
CID 135392090
3-methylbutan-2-imine
CID 20811318
4,4,4-trifluoro-3,3-dimethylbutan-2-imine
CID 90693772
4-imino-3,3-dimethylpentan-2-one
CID 118001965
3-butyl-3-methylheptan-2-imine
CID 12754208
3,3,5,5-tetramethylhexan-2-imine
CID 139333872
(Z)-3-methanimidoyl-4,5,5-trimethylhex-2-enimidoyl bromide
CID 170214312
2,2,5,5-tetramethylhexane-3,4-diimine
CID 21281613
(Z)-3-methanimidoyl-4,5,5-trimethylhex-2-enimidoyl iodide
CID 170214317
(Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine
CID 176949757
3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanimidamide;hydrochloride
CID 158084062

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)?
The IUPAC name of 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane) (CID 158241529) is 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane).
What is the SMILES notation for 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)?
The canonical SMILES for 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.[H]/N=C(\C([2H])[2H])C(C)(C)C.[H]/N=C(\C)C(C)(C)C.[H]/N=C(\C)C(C)(C)C.[H]/N=C(\C[2H])C(C)(C)C.
What is the InChIKey of 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)?
The InChIKey is GFPDDJBJENFFFN-VEDWRMEISA-N. The full InChI is InChI=1S/4C6H13N.4C4H10/c4*1-5(7)6(2,3)4;4*1-4(2)3/h4*7H,1-4H3;4*4H,1-3H3/b4*7-5+;;;;/i1D2;1D;;;;;;.
What are the key properties of 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane)?
1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane) has a molecular weight of 632.22 g/mol, XLogP of 14.94, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-3,3-dimethylbutan-2-imine;1,1-dideuterio-3,3-dimethylbutan-2-imine;bis(3,3-dimethylbutan-2-imine);tetrakis(2-methylpropane) is sourced from PubChem (CID 158241529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).