3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine

C15H28N2 — CID 126712242

IUPAC3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine
SMILESC/C=C\C(=C/C)C1C(CC)CCN1NCCC
InChIInChI=1S/C15H28N2/c1-5-9-13(7-3)15-14(8-4)10-12-17(15)16-11-6-2/h5,7,9,14-16H,6,8,10-12H2,1-4H3/b9-5-,13-7+
InChIKeyAWLWCIGTGZEUHF-DCYFYQMASA-N
MW236.40 g/mol
LogP3.52
Rot. Bonds6

About 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine

3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine (PubChem CID 126712242) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine.

Molecular Properties

Compound Name3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine
PubChem CID126712242
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine
SMILESC/C=C\C(=C/C)C1C(CC)CCN1NCCC
InChIInChI=1S/C15H28N2/c1-5-9-13(7-3)15-14(8-4)10-12-17(15)16-11-6-2/h5,7,9,14-16H,6,8,10-12H2,1-4H3/b9-5-,13-7+
InChIKeyAWLWCIGTGZEUHF-DCYFYQMASA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine?
The IUPAC name of 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine (CID 126712242) is 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine.
What is the SMILES notation for 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine?
The canonical SMILES for 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine is C/C=C\C(=C/C)C1C(CC)CCN1NCCC.
What is the InChIKey of 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine?
The InChIKey is AWLWCIGTGZEUHF-DCYFYQMASA-N. The full InChI is InChI=1S/C15H28N2/c1-5-9-13(7-3)15-14(8-4)10-12-17(15)16-11-6-2/h5,7,9,14-16H,6,8,10-12H2,1-4H3/b9-5-,13-7+.
What are the key properties of 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine?
3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine has a molecular weight of 236.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine is sourced from PubChem (CID 126712242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).