(E)-N-ethyl-N-methylpent-3-en-1-amine

C8H17N — CID 147558495

IUPAC(E)-N-ethyl-N-methylpent-3-en-1-amine
SMILESC/C=C/CCN(C)CC
InChIInChI=1S/C8H17N/c1-4-6-7-8-9(3)5-2/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyFSDRWAQGUPBPCD-GQCTYLIASA-N
MW127.23 g/mol
LogP1.90
Rot. Bonds4

About (E)-N-ethyl-N-methylpent-3-en-1-amine

(E)-N-ethyl-N-methylpent-3-en-1-amine (PubChem CID 147558495) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-N-ethyl-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-methylpent-3-en-1-amine
PubChem CID147558495
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-N-ethyl-N-methylpent-3-en-1-amine
SMILESC/C=C/CCN(C)CC
InChIInChI=1S/C8H17N/c1-4-6-7-8-9(3)5-2/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyFSDRWAQGUPBPCD-GQCTYLIASA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-methylpent-3-en-1-amine?
The IUPAC name of (E)-N-ethyl-N-methylpent-3-en-1-amine (CID 147558495) is (E)-N-ethyl-N-methylpent-3-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N-methylpent-3-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N-methylpent-3-en-1-amine is C/C=C/CCN(C)CC.
What is the InChIKey of (E)-N-ethyl-N-methylpent-3-en-1-amine?
The InChIKey is FSDRWAQGUPBPCD-GQCTYLIASA-N. The full InChI is InChI=1S/C8H17N/c1-4-6-7-8-9(3)5-2/h4,6H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of (E)-N-ethyl-N-methylpent-3-en-1-amine?
(E)-N-ethyl-N-methylpent-3-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-methylpent-3-en-1-amine is sourced from PubChem (CID 147558495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).