5,5-dimethylhexanamide;2-methylpropane

C12H27NO — CID 161490551

IUPAC5,5-dimethylhexanamide;2-methylpropane
SMILESCC(C)(C)CCCC(N)=O.CC(C)C
InChIInChI=1S/C8H17NO.C4H10/c1-8(2,3)6-4-5-7(9)10;1-4(2)3/h4-6H2,1-3H3,(H2,9,10);4H,1-3H3
InChIKeyWFNYBFQJLRXNIC-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.35
Rot. Bonds3

About 5,5-dimethylhexanamide;2-methylpropane

5,5-dimethylhexanamide;2-methylpropane (PubChem CID 161490551) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5,5-dimethylhexanamide;2-methylpropane.

Molecular Properties

Compound Name5,5-dimethylhexanamide;2-methylpropane
PubChem CID161490551
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5,5-dimethylhexanamide;2-methylpropane
SMILESCC(C)(C)CCCC(N)=O.CC(C)C
InChIInChI=1S/C8H17NO.C4H10/c1-8(2,3)6-4-5-7(9)10;1-4(2)3/h4-6H2,1-3H3,(H2,9,10);4H,1-3H3
InChIKeyWFNYBFQJLRXNIC-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane
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N',5,5-trimethylhexanimidamide
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8,8-dimethylnonan-4-one
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2-methylpropyl 7,7-dimethyloctanoate
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butanediamide;molybdenum
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2,2-di(propan-2-yl)decanediamide
CID 174837671
(2S)-2-aminopropanamide;2,2-dimethylpentane
CID 175210028
2,2-dimethylhexane;2-methylpropanoic acid
CID 159057066
(2E)-2-ethylidene-6,6-dimethylheptanoic acid
CID 163403748
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhexanamide;2-methylpropane?
The IUPAC name of 5,5-dimethylhexanamide;2-methylpropane (CID 161490551) is 5,5-dimethylhexanamide;2-methylpropane.
What is the SMILES notation for 5,5-dimethylhexanamide;2-methylpropane?
The canonical SMILES for 5,5-dimethylhexanamide;2-methylpropane is CC(C)(C)CCCC(N)=O.CC(C)C.
What is the InChIKey of 5,5-dimethylhexanamide;2-methylpropane?
The InChIKey is WFNYBFQJLRXNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C4H10/c1-8(2,3)6-4-5-7(9)10;1-4(2)3/h4-6H2,1-3H3,(H2,9,10);4H,1-3H3.
What are the key properties of 5,5-dimethylhexanamide;2-methylpropane?
5,5-dimethylhexanamide;2-methylpropane has a molecular weight of 201.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhexanamide;2-methylpropane is sourced from PubChem (CID 161490551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).