1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine

C14H27FN2 — CID 143209313

IUPAC1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine
SMILESC/C=C(\C=C/CF)CNC(C)CCN(C)CC
InChIInChI=1S/C14H27FN2/c1-5-14(8-7-10-15)12-16-13(3)9-11-17(4)6-2/h5,7-8,13,16H,6,9-12H2,1-4H3/b8-7-,14-5+
InChIKeyXLZYOVHTIRVWNK-KDDHRZGXSA-N
MW242.38 g/mol
LogP2.78
Rot. Bonds9

About 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine

1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine (PubChem CID 143209313) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine
PubChem CID143209313
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine
SMILESC/C=C(\C=C/CF)CNC(C)CCN(C)CC
InChIInChI=1S/C14H27FN2/c1-5-14(8-7-10-15)12-16-13(3)9-11-17(4)6-2/h5,7-8,13,16H,6,9-12H2,1-4H3/b8-7-,14-5+
InChIKeyXLZYOVHTIRVWNK-KDDHRZGXSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.78
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 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine (CID 143209313) is 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine is C/C=C(\C=C/CF)CNC(C)CCN(C)CC.
What is the InChIKey of 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine?
The InChIKey is XLZYOVHTIRVWNK-KDDHRZGXSA-N. The full InChI is InChI=1S/C14H27FN2/c1-5-14(8-7-10-15)12-16-13(3)9-11-17(4)6-2/h5,7-8,13,16H,6,9-12H2,1-4H3/b8-7-,14-5+.
What are the key properties of 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine?
1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine has a molecular weight of 242.38 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 143209313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).