N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide

C18H32N2 — CID 155277704

IUPACN'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide
SMILESC=C/N=C/N=C(\C=C)C(CCCCC)CCCCCC
InChIInChI=1S/C18H32N2/c1-5-9-11-13-15-17(14-12-10-6-2)18(7-3)20-16-19-8-4/h7-8,16-17H,3-6,9-15H2,1-2H3/b19-16+,20-18+
InChIKeyBAOQYKVOGMIUQW-LUJNFERBSA-N
MW276.47 g/mol
LogP5.95
Rot. Bonds13

About N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide

N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide (PubChem CID 155277704) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide
PubChem CID155277704
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide
SMILESC=C/N=C/N=C(\C=C)C(CCCCC)CCCCCC
InChIInChI=1S/C18H32N2/c1-5-9-11-13-15-17(14-12-10-6-2)18(7-3)20-16-19-8-4/h7-8,16-17H,3-6,9-15H2,1-2H3/b19-16+,20-18+
InChIKeyBAOQYKVOGMIUQW-LUJNFERBSA-N
XLogP5.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.95
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': 'imine_2', 'substructure': 'N/A'}

Analyze N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1Z)-buta-1,3-dienyl]-4-hexylundec-1-en-3-imine
CID 138554241
(3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine
CID 170061142
(E)-N,3-bis(ethenyl)-4-methyldec-2-en-1-imine
CID 139315408
2-prop-2-enyloctadecanoic acid
CID 54468209
3-ethenylnon-1-ene
CID 123641938
11,12,13-tris-decyltricos-11-ene
CID 173081565
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide
CID 146212188
[(E)-2-ethenyl-3-hexylnon-1-enyl]hydrazine
CID 129103348
2-ethenyltridecanal
CID 88845496
(4R)-dodec-1-en-4-ol
CID 11074077
1-trimethoxysilyldodecyl prop-2-enoate
CID 175341849

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide?
The IUPAC name of N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide (CID 155277704) is N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide.
What is the SMILES notation for N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide?
The canonical SMILES for N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide is C=C/N=C/N=C(\C=C)C(CCCCC)CCCCCC.
What is the InChIKey of N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide?
The InChIKey is BAOQYKVOGMIUQW-LUJNFERBSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-9-11-13-15-17(14-12-10-6-2)18(7-3)20-16-19-8-4/h7-8,16-17H,3-6,9-15H2,1-2H3/b19-16+,20-18+.
What are the key properties of N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide?
N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide has a molecular weight of 276.47 g/mol, XLogP of 5.95, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide is sourced from PubChem (CID 155277704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).