3-ethyl-N-methylpent-2-en-2-amine

C8H17N — CID 59079722

IUPAC3-ethyl-N-methylpent-2-en-2-amine
SMILESCCC(CC)=C(C)NC
InChIInChI=1S/C8H17N/c1-5-8(6-2)7(3)9-4/h9H,5-6H2,1-4H3
InChIKeyQJODAOWIFBPOAC-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.30
Rot. Bonds3

About 3-ethyl-N-methylpent-2-en-2-amine

3-ethyl-N-methylpent-2-en-2-amine (PubChem CID 59079722) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-ethyl-N-methylpent-2-en-2-amine.

Molecular Properties

Compound Name3-ethyl-N-methylpent-2-en-2-amine
PubChem CID59079722
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-ethyl-N-methylpent-2-en-2-amine
SMILESCCC(CC)=C(C)NC
InChIInChI=1S/C8H17N/c1-5-8(6-2)7(3)9-4/h9H,5-6H2,1-4H3
InChIKeyQJODAOWIFBPOAC-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylpent-2-en-2-amine?
The IUPAC name of 3-ethyl-N-methylpent-2-en-2-amine (CID 59079722) is 3-ethyl-N-methylpent-2-en-2-amine.
What is the SMILES notation for 3-ethyl-N-methylpent-2-en-2-amine?
The canonical SMILES for 3-ethyl-N-methylpent-2-en-2-amine is CCC(CC)=C(C)NC.
What is the InChIKey of 3-ethyl-N-methylpent-2-en-2-amine?
The InChIKey is QJODAOWIFBPOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-8(6-2)7(3)9-4/h9H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-N-methylpent-2-en-2-amine?
3-ethyl-N-methylpent-2-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylpent-2-en-2-amine is sourced from PubChem (CID 59079722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).