N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine

C24H44N2 — CID 137452054

IUPACN-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine
SMILESC=C/N=C/C(=C(\C=C)CC)N(CC)C(CCCCC)CCCCCCC
InChIInChI=1S/C24H44N2/c1-7-13-15-16-18-20-23(19-17-14-8-2)26(12-6)24(21-25-11-5)22(9-3)10-4/h9,11,21,23H,3,5,7-8,10,12-20H2,1-2,4,6H3/b24-22-,25-21+
InChIKeyVRQOBUYDPMFZHL-NKGSMZSXSA-N
MW360.63 g/mol
LogP7.68
Rot. Bonds17

About N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine

N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine (PubChem CID 137452054) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine.

Molecular Properties

Compound NameN-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine
PubChem CID137452054
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC NameN-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine
SMILESC=C/N=C/C(=C(\C=C)CC)N(CC)C(CCCCC)CCCCCCC
InChIInChI=1S/C24H44N2/c1-7-13-15-16-18-20-23(19-17-14-8-2)26(12-6)24(21-25-11-5)22(9-3)10-4/h9,11,21,23H,3,5,7-8,10,12-20H2,1-2,4,6H3/b24-22-,25-21+
InChIKeyVRQOBUYDPMFZHL-NKGSMZSXSA-N
XLogP7.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine?
The IUPAC name of N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine (CID 137452054) is N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine.
What is the SMILES notation for N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine?
The canonical SMILES for N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine is C=C/N=C/C(=C(\C=C)CC)N(CC)C(CCCCC)CCCCCCC.
What is the InChIKey of N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine?
The InChIKey is VRQOBUYDPMFZHL-NKGSMZSXSA-N. The full InChI is InChI=1S/C24H44N2/c1-7-13-15-16-18-20-23(19-17-14-8-2)26(12-6)24(21-25-11-5)22(9-3)10-4/h9,11,21,23H,3,5,7-8,10,12-20H2,1-2,4,6H3/b24-22-,25-21+.
What are the key properties of N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine?
N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine has a molecular weight of 360.63 g/mol, XLogP of 7.68, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-1-ethenylimino-3-ethylpenta-2,4-dien-2-yl]-N-ethyltridecan-6-amine is sourced from PubChem (CID 137452054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).