N-ethenyl-3-ethoxy-N-methylbutan-2-amine

C9H19NO — CID 143938330

IUPACN-ethenyl-3-ethoxy-N-methylbutan-2-amine
SMILESC=CN(C)C(C)C(C)OCC
InChIInChI=1S/C9H19NO/c1-6-10(5)8(3)9(4)11-7-2/h6,8-9H,1,7H2,2-5H3
InChIKeyDOZCNQHSACUHHN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.88
Rot. Bonds5

About N-ethenyl-3-ethoxy-N-methylbutan-2-amine

N-ethenyl-3-ethoxy-N-methylbutan-2-amine (PubChem CID 143938330) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethenyl-3-ethoxy-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethenyl-3-ethoxy-N-methylbutan-2-amine
PubChem CID143938330
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethenyl-3-ethoxy-N-methylbutan-2-amine
SMILESC=CN(C)C(C)C(C)OCC
InChIInChI=1S/C9H19NO/c1-6-10(5)8(3)9(4)11-7-2/h6,8-9H,1,7H2,2-5H3
InChIKeyDOZCNQHSACUHHN-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-ethoxy-N-methylbutan-2-amine?
The IUPAC name of N-ethenyl-3-ethoxy-N-methylbutan-2-amine (CID 143938330) is N-ethenyl-3-ethoxy-N-methylbutan-2-amine.
What is the SMILES notation for N-ethenyl-3-ethoxy-N-methylbutan-2-amine?
The canonical SMILES for N-ethenyl-3-ethoxy-N-methylbutan-2-amine is C=CN(C)C(C)C(C)OCC.
What is the InChIKey of N-ethenyl-3-ethoxy-N-methylbutan-2-amine?
The InChIKey is DOZCNQHSACUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-10(5)8(3)9(4)11-7-2/h6,8-9H,1,7H2,2-5H3.
What are the key properties of N-ethenyl-3-ethoxy-N-methylbutan-2-amine?
N-ethenyl-3-ethoxy-N-methylbutan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-ethoxy-N-methylbutan-2-amine is sourced from PubChem (CID 143938330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).