N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine

C12H27NO — CID 143711406

IUPACN-butyl-4-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCCCNCCC(C)(C)COCC
InChIInChI=1S/C12H27NO/c1-5-7-9-13-10-8-12(3,4)11-14-6-2/h13H,5-11H2,1-4H3
InChIKeyURGWYHKJVCKULC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds9

About N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine

N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine (PubChem CID 143711406) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-4-ethoxy-3,3-dimethylbutan-1-amine
PubChem CID143711406
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-butyl-4-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCCCNCCC(C)(C)COCC
InChIInChI=1S/C12H27NO/c1-5-7-9-13-10-8-12(3,4)11-14-6-2/h13H,5-11H2,1-4H3
InChIKeyURGWYHKJVCKULC-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756650
azane;1-ethoxy-2,2-dimethyldecane
CID 175176661
potassium;N-butylbutan-1-amine;hydride
CID 174461538
6-(butylamino)-4,4-dimethylhexaneperoxoic acid
CID 144683513
N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine
CID 154936879
N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide
CID 167233671
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
N-[2-[2-(tert-butylamino)ethoxy]ethyl]butan-1-amine
CID 149134271

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine (CID 143711406) is N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine is CCCCNCCC(C)(C)COCC.
What is the InChIKey of N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine?
The InChIKey is URGWYHKJVCKULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-9-13-10-8-12(3,4)11-14-6-2/h13H,5-11H2,1-4H3.
What are the key properties of N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine?
N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 143711406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).