N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane

C40H89NO — CID 158024279

IUPACN-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane
SMILESCC(C)(C)CCC(C)(C)C.CC(C)(C)CCCC(C)(C)C.CC(C)(C)CCCNC(C)(C)C.CC(C)(C)OC(C)(C)C
InChIInChI=1S/C11H25N.C11H24.C10H22.C8H18O/c1-10(2,3)8-7-9-12-11(4,5)6;1-10(2,3)8-7-9-11(4,5)6;1-9(2,3)7-8-10(4,5)6;1-7(2,3)9-8(4,5)6/h12H,7-9H2,1-6H3;7-9H2,1-6H3;7-8H2,1-6H3;1-6H3
InChIKeyFGKQSMUHWHLYNW-UHFFFAOYSA-N
MW600.16 g/mol
LogP13.91
Rot. Bonds6

About N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane

N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane (PubChem CID 158024279) has the molecular formula C40H89NO and a molecular weight of 600.16 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane
PubChem CID158024279
Molecular FormulaC40H89NO
Molecular Weight600.16 g/mol
Exact Mass599.69
IUPAC NameN-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane
SMILESCC(C)(C)CCC(C)(C)C.CC(C)(C)CCCC(C)(C)C.CC(C)(C)CCCNC(C)(C)C.CC(C)(C)OC(C)(C)C
InChIInChI=1S/C11H25N.C11H24.C10H22.C8H18O/c1-10(2,3)8-7-9-12-11(4,5)6;1-10(2,3)8-7-9-11(4,5)6;1-9(2,3)7-8-10(4,5)6;1-7(2,3)9-8(4,5)6/h12H,7-9H2,1-6H3;7-9H2,1-6H3;7-8H2,1-6H3;1-6H3
InChIKeyFGKQSMUHWHLYNW-UHFFFAOYSA-N
XLogP13.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.16
LogP ≤ 513.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine
CID 103033452
4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine
CID 146322548
N-tert-butyl-6,6-dimethylheptan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4,4-dimethylpentan-1-amine;bis(2,2-dimethylbutane);ethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;bis(2,2,6,6-tetramethylheptane);bis(2,2,5,5-tetramethylhexane);bis(2,2,8,8-tetramethylnonane);2,2,7,7-tetramethyloctane;2,2,4,4-tetramethylpentane
CID 163543253
N-tert-butyl-6,6-dimethylheptan-1-amine;N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,8,8-tetramethylnonane
CID 164071145
N-tert-butyl-2,2,4-trimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 166859111
N-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethylheptan-1-amine
CID 80324438

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane?
The IUPAC name of N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane (CID 158024279) is N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane.
What is the SMILES notation for N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane?
The canonical SMILES for N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane is CC(C)(C)CCC(C)(C)C.CC(C)(C)CCCC(C)(C)C.CC(C)(C)CCCNC(C)(C)C.CC(C)(C)OC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane?
The InChIKey is FGKQSMUHWHLYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C11H24.C10H22.C8H18O/c1-10(2,3)8-7-9-12-11(4,5)6;1-10(2,3)8-7-9-11(4,5)6;1-9(2,3)7-8-10(4,5)6;1-7(2,3)9-8(4,5)6/h12H,7-9H2,1-6H3;7-9H2,1-6H3;7-8H2,1-6H3;1-6H3.
What are the key properties of N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane?
N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane has a molecular weight of 600.16 g/mol, XLogP of 13.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane is sourced from PubChem (CID 158024279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).