N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine

C12H27NO — CID 88978386

IUPACN-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine
SMILESCOC(C)CCN(C)CCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(14-6)7-9-13(5)10-8-12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyWVHJONNESCVQNH-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds6

About N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine

N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 88978386) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine
PubChem CID88978386
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine
SMILESCOC(C)CCN(C)CCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(14-6)7-9-13(5)10-8-12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyWVHJONNESCVQNH-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine (CID 88978386) is N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine is COC(C)CCN(C)CCC(C)(C)C.
What is the InChIKey of N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is WVHJONNESCVQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(14-6)7-9-13(5)10-8-12(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine?
N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 88978386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).