(4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine

C16H26N2 — CID 123185703

IUPAC(4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine
SMILES[H]/N=C(C)/C(/C=C\C(C)CCCC(=C)C(=C)C)=N\C
InChIInChI=1S/C16H26N2/c1-12(2)14(4)9-7-8-13(3)10-11-16(18-6)15(5)17/h10-11,13,17H,1,4,7-9H2,2-3,5-6H3/b11-10-,17-15+,18-16-
InChIKeyGYPFADVTIKQQCJ-BBEDYLLDSA-N
MW246.40 g/mol
LogP4.59
Rot. Bonds8

About (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine

(4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine (PubChem CID 123185703) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine.

Molecular Properties

Compound Name(4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine
PubChem CID123185703
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine
SMILES[H]/N=C(C)/C(/C=C\C(C)CCCC(=C)C(=C)C)=N\C
InChIInChI=1S/C16H26N2/c1-12(2)14(4)9-7-8-13(3)10-11-16(18-6)15(5)17/h10-11,13,17H,1,4,7-9H2,2-3,5-6H3/b11-10-,17-15+,18-16-
InChIKeyGYPFADVTIKQQCJ-BBEDYLLDSA-N
XLogP4.59
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
2,3-Bis(5-methylhexan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 89287511
(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
CID 90720795
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
4-(8-methyl-2,5,8,9-tetrahydro-1H-benzo[7]annulen-6-yl)butan-2-imine
CID 91076155
1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine
CID 91153524
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
2-(2-Ethenylidene-3-propylhexyl)-5-(3-methylpenta-1,3-dien-2-yl)cyclohepta-2,6-dien-1-imine
CID 91318570
1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine
CID 91394984
(4,8,10-Trimethylundec-8-en-3-ylideneamino)methanamine
CID 91397502

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine?
The IUPAC name of (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine (CID 123185703) is (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine.
What is the SMILES notation for (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine?
The canonical SMILES for (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine is [H]/N=C(C)/C(/C=C\C(C)CCCC(=C)C(=C)C)=N\C.
What is the InChIKey of (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine?
The InChIKey is GYPFADVTIKQQCJ-BBEDYLLDSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14(4)9-7-8-13(3)10-11-16(18-6)15(5)17/h10-11,13,17H,1,4,7-9H2,2-3,5-6H3/b11-10-,17-15+,18-16-.
What are the key properties of (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine?
(4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine has a molecular weight of 246.40 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine is sourced from PubChem (CID 123185703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).