2,6,6,9-tetramethylundeca-7,9-dien-1-imine

C15H27N — CID 91253847

IUPAC2,6,6,9-tetramethylundeca-7,9-dien-1-imine
SMILES[H]/N=C/C(C)CCCC(C)(C)C=CC(C)=CC
InChIInChI=1S/C15H27N/c1-6-13(2)9-11-15(4,5)10-7-8-14(3)12-16/h6,9,11-12,14,16H,7-8,10H2,1-5H3/b11-9?,13-6?,16-12+
InChIKeyXBLRKSFFGMIDOR-ZOIHXGQESA-N
MW221.39 g/mol
LogP4.99
Rot. Bonds7

About 2,6,6,9-tetramethylundeca-7,9-dien-1-imine

2,6,6,9-tetramethylundeca-7,9-dien-1-imine (PubChem CID 91253847) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2,6,6,9-tetramethylundeca-7,9-dien-1-imine.

Molecular Properties

Compound Name2,6,6,9-tetramethylundeca-7,9-dien-1-imine
PubChem CID91253847
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2,6,6,9-tetramethylundeca-7,9-dien-1-imine
SMILES[H]/N=C/C(C)CCCC(C)(C)C=CC(C)=CC
InChIInChI=1S/C15H27N/c1-6-13(2)9-11-15(4,5)10-7-8-14(3)12-16/h6,9,11-12,14,16H,7-8,10H2,1-5H3/b11-9?,13-6?,16-12+
InChIKeyXBLRKSFFGMIDOR-ZOIHXGQESA-N
XLogP4.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54391338
[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine
CID 135217583
3-(3-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-2,2-dimethylpropan-1-imine
CID 169927015
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 91799586
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 169452168
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 15279800
(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 60095916
[2-ethyl-3-methyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 88562249
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
(E)-3-[(Z)-2-iodoethenyl]-4,4,6-trimethylhept-2-en-1-imine
CID 89629292
(2Z)-2-(2,2-dimethylpropyl)-5-methylhexa-2,4-dien-1-imine
CID 89697917

Frequently Asked Questions

What is the IUPAC name of 2,6,6,9-tetramethylundeca-7,9-dien-1-imine?
The IUPAC name of 2,6,6,9-tetramethylundeca-7,9-dien-1-imine (CID 91253847) is 2,6,6,9-tetramethylundeca-7,9-dien-1-imine.
What is the SMILES notation for 2,6,6,9-tetramethylundeca-7,9-dien-1-imine?
The canonical SMILES for 2,6,6,9-tetramethylundeca-7,9-dien-1-imine is [H]/N=C/C(C)CCCC(C)(C)C=CC(C)=CC.
What is the InChIKey of 2,6,6,9-tetramethylundeca-7,9-dien-1-imine?
The InChIKey is XBLRKSFFGMIDOR-ZOIHXGQESA-N. The full InChI is InChI=1S/C15H27N/c1-6-13(2)9-11-15(4,5)10-7-8-14(3)12-16/h6,9,11-12,14,16H,7-8,10H2,1-5H3/b11-9?,13-6?,16-12+.
What are the key properties of 2,6,6,9-tetramethylundeca-7,9-dien-1-imine?
2,6,6,9-tetramethylundeca-7,9-dien-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,9-tetramethylundeca-7,9-dien-1-imine is sourced from PubChem (CID 91253847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).