3-methoxy-N,N,2,3-tetramethylbutan-2-amine

C9H21NO — CID 14042313

IUPAC3-methoxy-N,N,2,3-tetramethylbutan-2-amine
SMILESCOC(C)(C)C(C)(C)N(C)C
InChIInChI=1S/C9H21NO/c1-8(2,10(5)6)9(3,4)11-7/h1-7H3
InChIKeyDALDQRDRMQASHZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds3

About 3-methoxy-N,N,2,3-tetramethylbutan-2-amine

3-methoxy-N,N,2,3-tetramethylbutan-2-amine (PubChem CID 14042313) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-methoxy-N,N,2,3-tetramethylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,N,2,3-tetramethylbutan-2-amine
PubChem CID14042313
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-methoxy-N,N,2,3-tetramethylbutan-2-amine
SMILESCOC(C)(C)C(C)(C)N(C)C
InChIInChI=1S/C9H21NO/c1-8(2,10(5)6)9(3,4)11-7/h1-7H3
InChIKeyDALDQRDRMQASHZ-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N,2,3-tetramethylbutan-2-amine?
The IUPAC name of 3-methoxy-N,N,2,3-tetramethylbutan-2-amine (CID 14042313) is 3-methoxy-N,N,2,3-tetramethylbutan-2-amine.
What is the SMILES notation for 3-methoxy-N,N,2,3-tetramethylbutan-2-amine?
The canonical SMILES for 3-methoxy-N,N,2,3-tetramethylbutan-2-amine is COC(C)(C)C(C)(C)N(C)C.
What is the InChIKey of 3-methoxy-N,N,2,3-tetramethylbutan-2-amine?
The InChIKey is DALDQRDRMQASHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2,10(5)6)9(3,4)11-7/h1-7H3.
What are the key properties of 3-methoxy-N,N,2,3-tetramethylbutan-2-amine?
3-methoxy-N,N,2,3-tetramethylbutan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N,2,3-tetramethylbutan-2-amine is sourced from PubChem (CID 14042313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).