N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide

C20H32N2 — CID 138483418

IUPACN'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide
SMILESC=CC(=C\C)/C(=C\C)/N=C(\N=C(C)C)C1CCCCCCC1
InChIInChI=1S/C20H32N2/c1-6-17(7-2)19(8-3)22-20(21-16(4)5)18-14-12-10-9-11-13-15-18/h6-8,18H,1,9-15H2,2-5H3/b17-7+,19-8+,22-20-
InChIKeyGSSDIGOICIHPGX-TWAQELKWSA-N
MW300.49 g/mol
LogP6.26
Rot. Bonds4

About N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide

N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide (PubChem CID 138483418) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide.

Molecular Properties

Compound NameN'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide
PubChem CID138483418
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC NameN'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide
SMILESC=CC(=C\C)/C(=C\C)/N=C(\N=C(C)C)C1CCCCCCC1
InChIInChI=1S/C20H32N2/c1-6-17(7-2)19(8-3)22-20(21-16(4)5)18-14-12-10-9-11-13-15-18/h6-8,18H,1,9-15H2,2-5H3/b17-7+,19-8+,22-20-
InChIKeyGSSDIGOICIHPGX-TWAQELKWSA-N
XLogP6.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide?
The IUPAC name of N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide (CID 138483418) is N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide.
What is the SMILES notation for N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide?
The canonical SMILES for N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide is C=CC(=C\C)/C(=C\C)/N=C(\N=C(C)C)C1CCCCCCC1.
What is the InChIKey of N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide?
The InChIKey is GSSDIGOICIHPGX-TWAQELKWSA-N. The full InChI is InChI=1S/C20H32N2/c1-6-17(7-2)19(8-3)22-20(21-16(4)5)18-14-12-10-9-11-13-15-18/h6-8,18H,1,9-15H2,2-5H3/b17-7+,19-8+,22-20-.
What are the key properties of N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide?
N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide has a molecular weight of 300.49 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-4-ethenylhexa-2,4-dien-3-yl]-N-propan-2-ylidenecyclooctanecarboximidamide is sourced from PubChem (CID 138483418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).