2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine

C17H24N2 — CID 123416375

IUPAC2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine
SMILES[H]/N=C/C(/C=C(\C)C(=C)/C=C(C)\C=C/CC=C)/C(C)=N/[H]
InChIInChI=1S/C17H24N2/c1-6-7-8-9-13(2)10-14(3)15(4)11-17(12-18)16(5)19/h6,8-12,17-19H,1,3,7H2,2,4-5H3/b9-8-,13-10-,15-11+,18-12+,19-16+
InChIKeyYFMBQTPTGHZKKA-NXWDPIGLSA-N
MW256.39 g/mol
LogP4.87
Rot. Bonds8

About 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine

2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine (PubChem CID 123416375) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine.

Molecular Properties

Compound Name2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine
PubChem CID123416375
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine
SMILES[H]/N=C/C(/C=C(\C)C(=C)/C=C(C)\C=C/CC=C)/C(C)=N/[H]
InChIInChI=1S/C17H24N2/c1-6-7-8-9-13(2)10-14(3)15(4)11-17(12-18)16(5)19/h6,8-12,17-19H,1,3,7H2,2,4-5H3/b9-8-,13-10-,15-11+,18-12+,19-16+
InChIKeyYFMBQTPTGHZKKA-NXWDPIGLSA-N
XLogP4.87
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 166176910
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CID 87310176
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253
(4-Methylcyclohexa-2,4-dien-1-yl)methanimine
CID 88562250
(2Z)-3-propan-2-ylpenta-2,4-dien-1-imine
CID 89372568
(4-Ethylcyclohexa-2,4-dien-1-yl)methanimine
CID 89404715
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(2Z,4Z)-3-propan-2-ylhexa-2,4-dien-1-imine
CID 89663527
(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-1-imine
CID 89708715
(3Z,5E)-3-methanimidoyl-6-methyl-2-[(Z)-3-methylidenepent-1-enyl]octa-3,5-dien-1-amine
CID 89984177
(3E)-4-cyclopropylhexa-3,5-diene-1,2-diimine
CID 90243508

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine?
The IUPAC name of 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine (CID 123416375) is 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine.
What is the SMILES notation for 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine?
The canonical SMILES for 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine is [H]/N=C/C(/C=C(\C)C(=C)/C=C(C)\C=C/CC=C)/C(C)=N/[H].
What is the InChIKey of 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine?
The InChIKey is YFMBQTPTGHZKKA-NXWDPIGLSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-7-8-9-13(2)10-14(3)15(4)11-17(12-18)16(5)19/h6,8-12,17-19H,1,3,7H2,2,4-5H3/b9-8-,13-10-,15-11+,18-12+,19-16+.
What are the key properties of 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine?
2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine has a molecular weight of 256.39 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,4Z,6Z)-2,5-dimethyl-3-methylidenedeca-1,4,6,9-tetraenyl]butane-1,3-diimine is sourced from PubChem (CID 123416375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).