ethanol;N-ethyl-N-methylbutan-2-amine

C9H23NO — CID 88665747

IUPACethanol;N-ethyl-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC.CCO
InChIInChI=1S/C7H17N.C2H6O/c1-5-7(3)8(4)6-2;1-2-3/h7H,5-6H2,1-4H3;3H,2H2,1H3
InChIKeyPGQYIEINNBWLKS-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.74
Rot. Bonds3

About ethanol;N-ethyl-N-methylbutan-2-amine

ethanol;N-ethyl-N-methylbutan-2-amine (PubChem CID 88665747) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is ethanol;N-ethyl-N-methylbutan-2-amine.

Molecular Properties

Compound Nameethanol;N-ethyl-N-methylbutan-2-amine
PubChem CID88665747
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Nameethanol;N-ethyl-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC.CCO
InChIInChI=1S/C7H17N.C2H6O/c1-5-7(3)8(4)6-2;1-2-3/h7H,5-6H2,1-4H3;3H,2H2,1H3
InChIKeyPGQYIEINNBWLKS-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;N-ethyl-N-methylbutan-2-amine?
The IUPAC name of ethanol;N-ethyl-N-methylbutan-2-amine (CID 88665747) is ethanol;N-ethyl-N-methylbutan-2-amine.
What is the SMILES notation for ethanol;N-ethyl-N-methylbutan-2-amine?
The canonical SMILES for ethanol;N-ethyl-N-methylbutan-2-amine is CCC(C)N(C)CC.CCO.
What is the InChIKey of ethanol;N-ethyl-N-methylbutan-2-amine?
The InChIKey is PGQYIEINNBWLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C2H6O/c1-5-7(3)8(4)6-2;1-2-3/h7H,5-6H2,1-4H3;3H,2H2,1H3.
What are the key properties of ethanol;N-ethyl-N-methylbutan-2-amine?
ethanol;N-ethyl-N-methylbutan-2-amine has a molecular weight of 161.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-ethyl-N-methylbutan-2-amine is sourced from PubChem (CID 88665747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).