N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene

C10H17N — CID 143290629

IUPACN-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene
SMILESC=C.C=NC(C(=C)C)=C(C)C
InChIInChI=1S/C8H13N.C2H4/c1-6(2)8(9-5)7(3)4;1-2/h1,5H2,2-4H3;1-2H2
InChIKeyRFPQRLHEPDAXQL-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.36
Rot. Bonds2

About N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene

N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene (PubChem CID 143290629) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene.

Molecular Properties

Compound NameN-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene
PubChem CID143290629
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene
SMILESC=C.C=NC(C(=C)C)=C(C)C
InChIInChI=1S/C8H13N.C2H4/c1-6(2)8(9-5)7(3)4;1-2/h1,5H2,2-4H3;1-2H2
InChIKeyRFPQRLHEPDAXQL-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(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,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine
CID 175614207
N-[(2E,4Z,6E,7E)-6-ethylidene-9,9,9-trifluoro-4-methylnona-2,4,7-trien-5-yl]methanimine
CID 144320026
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propan-2-imine
CID 88529325

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene?
The IUPAC name of N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene (CID 143290629) is N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene.
What is the SMILES notation for N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene?
The canonical SMILES for N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene is C=C.C=NC(C(=C)C)=C(C)C.
What is the InChIKey of N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene?
The InChIKey is RFPQRLHEPDAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H4/c1-6(2)8(9-5)7(3)4;1-2/h1,5H2,2-4H3;1-2H2.
What are the key properties of N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene?
N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene has a molecular weight of 151.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpenta-1,3-dien-3-yl)methanimine;ethene is sourced from PubChem (CID 143290629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).