ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine

C10H25NO — CID 143333784

IUPACethane;N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCC.CCNCC(C)CCOC
InChIInChI=1S/C8H19NO.C2H6/c1-4-9-7-8(2)5-6-10-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyKXNXTFOOZAGZMJ-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.29
Rot. Bonds6

About ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine

ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine (PubChem CID 143333784) has the molecular formula C10H25NO and a molecular weight of 175.32 g/mol. Its IUPAC name is ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-4-methoxy-2-methylbutan-1-amine
PubChem CID143333784
Molecular FormulaC10H25NO
Molecular Weight175.32 g/mol
Exact Mass175.19
IUPAC Nameethane;N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCC.CCNCC(C)CCOC
InChIInChI=1S/C8H19NO.C2H6/c1-4-9-7-8(2)5-6-10-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyKXNXTFOOZAGZMJ-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine (CID 143333784) is ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine is CC.CCNCC(C)CCOC.
What is the InChIKey of ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine?
The InChIKey is KXNXTFOOZAGZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C2H6/c1-4-9-7-8(2)5-6-10-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine?
ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine has a molecular weight of 175.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 143333784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).