N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine

C16H35NO2 — CID 118912417

IUPACN-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine
SMILESCC(C)(C)NCCCCOCCCCOC(C)(C)C
InChIInChI=1S/C16H35NO2/c1-15(2,3)17-11-7-8-12-18-13-9-10-14-19-16(4,5)6/h17H,7-14H2,1-6H3
InChIKeyZYGVPYITAZQZPN-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.77
Rot. Bonds10

About N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine

N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine (PubChem CID 118912417) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine
PubChem CID118912417
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC NameN-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine
SMILESCC(C)(C)NCCCCOCCCCOC(C)(C)C
InChIInChI=1S/C16H35NO2/c1-15(2,3)17-11-7-8-12-18-13-9-10-14-19-16(4,5)6/h17H,7-14H2,1-6H3
InChIKeyZYGVPYITAZQZPN-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
6-[4-(tert-butylamino)butoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one
CID 157233613
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390
N-tert-butyl-4-(2-propan-2-yloxyethoxy)butan-1-amine
CID 62457092
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971
N-tert-butyl-6,6-dimethylheptan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4,4-dimethylpentan-1-amine;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentane;1-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;N-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;3,3-dimethyl-1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;8,8-dimethyl-1-[(2-methylpropan-2-yl)oxy]nonane;2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,8,8-tetramethylnonane
CID 167631084
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
2-[3-(tert-butylamino)propoxy]ethanol
CID 150900173

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine?
The IUPAC name of N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine (CID 118912417) is N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine is CC(C)(C)NCCCCOCCCCOC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine?
The InChIKey is ZYGVPYITAZQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-15(2,3)17-11-7-8-12-18-13-9-10-14-19-16(4,5)6/h17H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine?
N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine is sourced from PubChem (CID 118912417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).