2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine

C14H22N2 — CID 129272968

IUPAC2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine
SMILESC=CC(C=C)=C(NC)NCC(/C=C\C)=C/C
InChIInChI=1S/C14H22N2/c1-6-10-12(7-2)11-16-14(15-5)13(8-3)9-4/h6-10,15-16H,3-4,11H2,1-2,5H3/b10-6-,12-7+
InChIKeyQDSTXJZIWARADH-KMJJTFSOSA-N
MW218.34 g/mol
LogP2.90
Rot. Bonds7

About 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine

2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine (PubChem CID 129272968) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine
PubChem CID129272968
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine
SMILESC=CC(C=C)=C(NC)NCC(/C=C\C)=C/C
InChIInChI=1S/C14H22N2/c1-6-10-12(7-2)11-16-14(15-5)13(8-3)9-4/h6-10,15-16H,3-4,11H2,1-2,5H3/b10-6-,12-7+
InChIKeyQDSTXJZIWARADH-KMJJTFSOSA-N
XLogP2.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
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 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine?
The IUPAC name of 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine (CID 129272968) is 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine.
What is the SMILES notation for 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine?
The canonical SMILES for 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine is C=CC(C=C)=C(NC)NCC(/C=C\C)=C/C.
What is the InChIKey of 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine?
The InChIKey is QDSTXJZIWARADH-KMJJTFSOSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-10-12(7-2)11-16-14(15-5)13(8-3)9-4/h6-10,15-16H,3-4,11H2,1-2,5H3/b10-6-,12-7+.
What are the key properties of 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine?
2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine is sourced from PubChem (CID 129272968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).