2-ethylbutan-1-amine

C6H15N — CID 12049

IUPAC2-ethylbutan-1-amine
SMILESCCC(CC)CN
InChIInChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3
InChIKeyMGWAGIQQTULHGU-UHFFFAOYSA-N
MW101.19 g/mol
LogP1.38
Rot. Bonds3

About 2-ethylbutan-1-amine

2-ethylbutan-1-amine (PubChem CID 12049) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is 2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-ethylbutan-1-amine
PubChem CID12049
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Name2-ethylbutan-1-amine
SMILESCCC(CC)CN
InChIInChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3
InChIKeyMGWAGIQQTULHGU-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbutan-1-amine?
The IUPAC name of 2-ethylbutan-1-amine (CID 12049) is 2-ethylbutan-1-amine.
What is the SMILES notation for 2-ethylbutan-1-amine?
The canonical SMILES for 2-ethylbutan-1-amine is CCC(CC)CN.
What is the InChIKey of 2-ethylbutan-1-amine?
The InChIKey is MGWAGIQQTULHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-ethylbutan-1-amine?
2-ethylbutan-1-amine has a molecular weight of 101.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutan-1-amine is sourced from PubChem (CID 12049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).