ethane;2-ethoxybutan-1-amine

C10H27NO — CID 176948064

IUPACethane;2-ethoxybutan-1-amine
SMILESCC.CC.CCOC(CC)CN
InChIInChI=1S/C6H15NO.2C2H6/c1-3-6(5-7)8-4-2;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3
InChIKeyNQVUHNKWIRQOBF-UHFFFAOYSA-N
MW177.33 g/mol
LogP2.81
Rot. Bonds4

About ethane;2-ethoxybutan-1-amine

ethane;2-ethoxybutan-1-amine (PubChem CID 176948064) has the molecular formula C10H27NO and a molecular weight of 177.33 g/mol. Its IUPAC name is ethane;2-ethoxybutan-1-amine.

Molecular Properties

Compound Nameethane;2-ethoxybutan-1-amine
PubChem CID176948064
Molecular FormulaC10H27NO
Molecular Weight177.33 g/mol
Exact Mass177.21
IUPAC Nameethane;2-ethoxybutan-1-amine
SMILESCC.CC.CCOC(CC)CN
InChIInChI=1S/C6H15NO.2C2H6/c1-3-6(5-7)8-4-2;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3
InChIKeyNQVUHNKWIRQOBF-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxybutan-1-amine?
The IUPAC name of ethane;2-ethoxybutan-1-amine (CID 176948064) is ethane;2-ethoxybutan-1-amine.
What is the SMILES notation for ethane;2-ethoxybutan-1-amine?
The canonical SMILES for ethane;2-ethoxybutan-1-amine is CC.CC.CCOC(CC)CN.
What is the InChIKey of ethane;2-ethoxybutan-1-amine?
The InChIKey is NQVUHNKWIRQOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.2C2H6/c1-3-6(5-7)8-4-2;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethoxybutan-1-amine?
ethane;2-ethoxybutan-1-amine has a molecular weight of 177.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxybutan-1-amine is sourced from PubChem (CID 176948064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).