1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane

C14H26N2 — CID 134365028

IUPAC1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane
SMILESC/C=C\C(=C/C)CN1CCCN(CC)CC1
InChIInChI=1S/C14H26N2/c1-4-8-14(5-2)13-16-10-7-9-15(6-3)11-12-16/h4-5,8H,6-7,9-13H2,1-3H3/b8-4-,14-5+
InChIKeyQHMKUVVGPOFFJJ-NYQUBNGWSA-N
MW222.38 g/mol
LogP2.54
Rot. Bonds4

About 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane

1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane (PubChem CID 134365028) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane
PubChem CID134365028
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane
SMILESC/C=C\C(=C/C)CN1CCCN(CC)CC1
InChIInChI=1S/C14H26N2/c1-4-8-14(5-2)13-16-10-7-9-15(6-3)11-12-16/h4-5,8H,6-7,9-13H2,1-3H3/b8-4-,14-5+
InChIKeyQHMKUVVGPOFFJJ-NYQUBNGWSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane
CID 123462135
1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
CID 167002240
1,6-diethyl-1,6-diazecane
CID 172611513
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine
CID 13007
1,4-diethylpiperazine;sulfane
CID 177062456
1-ethylpiperidine;methane
CID 162133943
ethane;1-ethylpiperidine
CID 90845344
1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
1-[(E)-2-ethylbut-2-enyl]pyrrolidine
CID 70169991
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane?
The IUPAC name of 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane (CID 134365028) is 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane.
What is the SMILES notation for 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane?
The canonical SMILES for 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane is C/C=C\C(=C/C)CN1CCCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane?
The InChIKey is QHMKUVVGPOFFJJ-NYQUBNGWSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-8-14(5-2)13-16-10-7-9-15(6-3)11-12-16/h4-5,8H,6-7,9-13H2,1-3H3/b8-4-,14-5+.
What are the key properties of 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane?
1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane has a molecular weight of 222.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane is sourced from PubChem (CID 134365028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).