ethane;3-methoxy-N,N-dimethylbutan-1-amine

C9H23NO — CID 144600046

IUPACethane;3-methoxy-N,N-dimethylbutan-1-amine
SMILESCC.COC(C)CCN(C)C
InChIInChI=1S/C7H17NO.C2H6/c1-7(9-4)5-6-8(2)3;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyQWAFHMAHDFFOBH-UHFFFAOYSA-N
MW161.29 g/mol
LogP2.00
Rot. Bonds4

About ethane;3-methoxy-N,N-dimethylbutan-1-amine

ethane;3-methoxy-N,N-dimethylbutan-1-amine (PubChem CID 144600046) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is ethane;3-methoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Nameethane;3-methoxy-N,N-dimethylbutan-1-amine
PubChem CID144600046
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Nameethane;3-methoxy-N,N-dimethylbutan-1-amine
SMILESCC.COC(C)CCN(C)C
InChIInChI=1S/C7H17NO.C2H6/c1-7(9-4)5-6-8(2)3;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyQWAFHMAHDFFOBH-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-N,N-dimethylbutan-1-amine?
The IUPAC name of ethane;3-methoxy-N,N-dimethylbutan-1-amine (CID 144600046) is ethane;3-methoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for ethane;3-methoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for ethane;3-methoxy-N,N-dimethylbutan-1-amine is CC.COC(C)CCN(C)C.
What is the InChIKey of ethane;3-methoxy-N,N-dimethylbutan-1-amine?
The InChIKey is QWAFHMAHDFFOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C2H6/c1-7(9-4)5-6-8(2)3;1-2/h7H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;3-methoxy-N,N-dimethylbutan-1-amine?
ethane;3-methoxy-N,N-dimethylbutan-1-amine has a molecular weight of 161.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 144600046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).