N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine

C10H15N — CID 123907280

IUPACN-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine
SMILESC=NC(C)=CC=C(C)C(=C)C
InChIInChI=1S/C10H15N/c1-8(2)9(3)6-7-10(4)11-5/h6-7H,1,5H2,2-4H3
InChIKeyCBGSGDUEKQZZAI-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

About N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine

N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine (PubChem CID 123907280) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine.

Molecular Properties

Compound NameN-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine
PubChem CID123907280
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine
SMILESC=NC(C)=CC=C(C)C(=C)C
InChIInChI=1S/C10H15N/c1-8(2)9(3)6-7-10(4)11-5/h6-7H,1,5H2,2-4H3
InChIKeyCBGSGDUEKQZZAI-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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-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-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
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-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486
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-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143420707
N-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143599195

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine?
The IUPAC name of N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine (CID 123907280) is N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine.
What is the SMILES notation for N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine?
The canonical SMILES for N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine is C=NC(C)=CC=C(C)C(=C)C.
What is the InChIKey of N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine?
The InChIKey is CBGSGDUEKQZZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)9(3)6-7-10(4)11-5/h6-7H,1,5H2,2-4H3.
What are the key properties of N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine?
N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine is sourced from PubChem (CID 123907280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).