1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine

C23H33NO — CID 143730109

IUPAC1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine
SMILESC=C(/C=C\C(=C/C)CCCCC)/N=C/c1ccc(OCCCC)cc1
InChIInChI=1S/C23H33NO/c1-5-8-10-11-21(7-3)13-12-20(4)24-19-22-14-16-23(17-15-22)25-18-9-6-2/h7,12-17,19H,4-6,8-11,18H2,1-3H3/b13-12-,21-7-,24-19+
InChIKeyAMSHIYCJESCKNJ-NZHBJOJRSA-N
MW339.52 g/mol
LogP6.88
Rot. Bonds12

About 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine

1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine (PubChem CID 143730109) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine
PubChem CID143730109
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine
SMILESC=C(/C=C\C(=C/C)CCCCC)/N=C/c1ccc(OCCCC)cc1
InChIInChI=1S/C23H33NO/c1-5-8-10-11-21(7-3)13-12-20(4)24-19-22-14-16-23(17-15-22)25-18-9-6-2/h7,12-17,19H,4-6,8-11,18H2,1-3H3/b13-12-,21-7-,24-19+
InChIKeyAMSHIYCJESCKNJ-NZHBJOJRSA-N
XLogP6.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.88
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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Related Compounds

N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
2-[(4-butoxyphenyl)methylideneamino]-3,3-dichloroprop-2-enenitrile
CID 15099296
1-(4-butoxyphenyl)-N-ethenylmethanimine
CID 59143707
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide
CID 138657356
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine?
The IUPAC name of 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine (CID 143730109) is 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine.
What is the SMILES notation for 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine?
The canonical SMILES for 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine is C=C(/C=C\C(=C/C)CCCCC)/N=C/c1ccc(OCCCC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine?
The InChIKey is AMSHIYCJESCKNJ-NZHBJOJRSA-N. The full InChI is InChI=1S/C23H33NO/c1-5-8-10-11-21(7-3)13-12-20(4)24-19-22-14-16-23(17-15-22)25-18-9-6-2/h7,12-17,19H,4-6,8-11,18H2,1-3H3/b13-12-,21-7-,24-19+.
What are the key properties of 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine?
1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine has a molecular weight of 339.52 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-N-[(3Z,5Z)-5-ethylidenedeca-1,3-dien-2-yl]methanimine is sourced from PubChem (CID 143730109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).