(3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine

C19H33N — CID 170061142

IUPAC(3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine
SMILESC=C/C=C\C(=N/C=C)C(CCCCC)CCCCCC
InChIInChI=1S/C19H33N/c1-5-9-12-14-16-18(15-13-10-6-2)19(20-8-4)17-11-7-3/h7-8,11,17-18H,3-6,9-10,12-16H2,1-2H3/b17-11-,20-19+
InChIKeyZQTQIODLPZJZJF-GDOHLEIWSA-N
MW275.48 g/mol
LogP6.48
Rot. Bonds13

About (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine

(3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine (PubChem CID 170061142) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine
PubChem CID170061142
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine
SMILESC=C/C=C\C(=N/C=C)C(CCCCC)CCCCCC
InChIInChI=1S/C19H33N/c1-5-9-12-14-16-18(15-13-10-6-2)19(20-8-4)17-11-7-3/h7-8,11,17-18H,3-6,9-10,12-16H2,1-2H3/b17-11-,20-19+
InChIKeyZQTQIODLPZJZJF-GDOHLEIWSA-N
XLogP6.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(1Z)-buta-1,3-dienyl]-4-hexylundec-1-en-3-imine
CID 138554241
N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide
CID 155277704
(3Z)-N-ethenyl-6-hexyl-6-methyldodeca-1,3-dien-5-imine
CID 138502761
[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene
CID 166675883
(3E)-undeca-1,3-dien-6-ol
CID 15579179
2-prop-2-enyloctadecanoic acid
CID 54468209
11,12,13-tris-decyltricos-11-ene
CID 173081565
2-pentyldec-9-enoic acid
CID 175975601
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
dodeca-1,3-dien-5-yl acetate
CID 90996679
(4R)-dodec-1-en-4-ol
CID 11074077
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine?
The IUPAC name of (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine (CID 170061142) is (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine.
What is the SMILES notation for (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine?
The canonical SMILES for (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine is C=C/C=C\C(=N/C=C)C(CCCCC)CCCCCC.
What is the InChIKey of (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine?
The InChIKey is ZQTQIODLPZJZJF-GDOHLEIWSA-N. The full InChI is InChI=1S/C19H33N/c1-5-9-12-14-16-18(15-13-10-6-2)19(20-8-4)17-11-7-3/h7-8,11,17-18H,3-6,9-10,12-16H2,1-2H3/b17-11-,20-19+.
What are the key properties of (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine?
(3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine has a molecular weight of 275.48 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine is sourced from PubChem (CID 170061142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).