N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine

C14H21N — CID 123464811

IUPACN,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine
SMILESC=C(C=CC(=C)C(C)=C/C=N/C)CCC
InChIInChI=1S/C14H21N/c1-6-7-12(2)8-9-13(3)14(4)10-11-15-5/h8-11H,2-3,6-7H2,1,4-5H3/b9-8?,14-10?,15-11+
InChIKeyXBWPVDMVQLLOFW-GHZOOYDHSA-N
MW203.33 g/mol
LogP4.10
Rot. Bonds6

About N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine

N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine (PubChem CID 123464811) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine.

Molecular Properties

Compound NameN,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine
PubChem CID123464811
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine
SMILESC=C(C=CC(=C)C(C)=C/C=N/C)CCC
InChIInChI=1S/C14H21N/c1-6-7-12(2)8-9-13(3)14(4)10-11-15-5/h8-11H,2-3,6-7H2,1,4-5H3/b9-8?,14-10?,15-11+
InChIKeyXBWPVDMVQLLOFW-GHZOOYDHSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
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

N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
CID 123683732
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine
CID 146578951
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
CID 164673418
CID 164673418
(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
CID 101404446
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine?
The IUPAC name of N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine (CID 123464811) is N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine.
What is the SMILES notation for N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine?
The canonical SMILES for N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine is C=C(C=CC(=C)C(C)=C/C=N/C)CCC.
What is the InChIKey of N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine?
The InChIKey is XBWPVDMVQLLOFW-GHZOOYDHSA-N. The full InChI is InChI=1S/C14H21N/c1-6-7-12(2)8-9-13(3)14(4)10-11-15-5/h8-11H,2-3,6-7H2,1,4-5H3/b9-8?,14-10?,15-11+.
What are the key properties of N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine?
N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine has a molecular weight of 203.33 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4,7-dimethylidenedeca-2,5-dien-1-imine is sourced from PubChem (CID 123464811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).