N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine

C14H21N — CID 123924179

IUPACN-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine
SMILESC=CC(C)=CC=C(N=C)C(C)=C(C)CC
InChIInChI=1S/C14H21N/c1-7-11(3)9-10-14(15-6)13(5)12(4)8-2/h7,9-10H,1,6,8H2,2-5H3
InChIKeyHUNCCYUMEZVGEG-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.45
Rot. Bonds5

About N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine

N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine (PubChem CID 123924179) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine.

Molecular Properties

Compound NameN-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine
PubChem CID123924179
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine
SMILESC=CC(C)=CC=C(N=C)C(C)=C(C)CC
InChIInChI=1S/C14H21N/c1-7-11(3)9-10-14(15-6)13(5)12(4)8-2/h7,9-10H,1,6,8H2,2-5H3
InChIKeyHUNCCYUMEZVGEG-UHFFFAOYSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.45
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-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 70323185
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(3E)-5-(trifluoromethyl)hexa-1,3,5-trien-3-yl]methanimine
CID 144145337
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(Z,4E)-4-(2-fluorocyclohexa-2,4-dien-1-ylidene)pent-2-en-2-yl]methanimine
CID 145509789
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378

Frequently Asked Questions

What is the IUPAC name of N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine?
The IUPAC name of N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine (CID 123924179) is N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine.
What is the SMILES notation for N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine?
The canonical SMILES for N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine is C=CC(C)=CC=C(N=C)C(C)=C(C)CC.
What is the InChIKey of N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine?
The InChIKey is HUNCCYUMEZVGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-7-11(3)9-10-14(15-6)13(5)12(4)8-2/h7,9-10H,1,6,8H2,2-5H3.
What are the key properties of N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine?
N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine has a molecular weight of 203.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine is sourced from PubChem (CID 123924179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).