N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine

C12H27NO — CID 103033637

IUPACN-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine
SMILESCOC(C)(C)CCNCCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)7-9-13-10-8-12(4,5)14-6/h13H,7-10H2,1-6H3
InChIKeyQNYMMFJHVKZCCM-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds6

About N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine

N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine (PubChem CID 103033637) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine
PubChem CID103033637
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine
SMILESCOC(C)(C)CCNCCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)7-9-13-10-8-12(4,5)14-6/h13H,7-10H2,1-6H3
InChIKeyQNYMMFJHVKZCCM-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine (CID 103033637) is N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine is COC(C)(C)CCNCCC(C)(C)C.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine?
The InChIKey is QNYMMFJHVKZCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2,3)7-9-13-10-8-12(4,5)14-6/h13H,7-10H2,1-6H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine?
N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 103033637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).