N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane

C10H19N — CID 145312854

IUPACN-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane
SMILESC=N/C(C)=C(\C)C(=C)C.CC
InChIInChI=1S/C8H13N.C2H6/c1-6(2)7(3)8(4)9-5;1-2/h1,5H2,2-4H3;1-2H3/b8-7+;
InChIKeyLSSFTUPSXVTGBC-USRGLUTNSA-N
MW153.27 g/mol
LogP3.58
Rot. Bonds2

About N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane

N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane (PubChem CID 145312854) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane.

Molecular Properties

Compound NameN-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane
PubChem CID145312854
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane
SMILESC=N/C(C)=C(\C)C(=C)C.CC
InChIInChI=1S/C8H13N.C2H6/c1-6(2)7(3)8(4)9-5;1-2/h1,5H2,2-4H3;1-2H3/b8-7+;
InChIKeyLSSFTUPSXVTGBC-USRGLUTNSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.58
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-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
CID 123150964
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-[(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-[(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,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
CID 146615392
N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine
CID 163448691
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-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane?
The IUPAC name of N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane (CID 145312854) is N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane.
What is the SMILES notation for N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane?
The canonical SMILES for N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane is C=N/C(C)=C(\C)C(=C)C.CC.
What is the InChIKey of N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane?
The InChIKey is LSSFTUPSXVTGBC-USRGLUTNSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-6(2)7(3)8(4)9-5;1-2/h1,5H2,2-4H3;1-2H3/b8-7+;.
What are the key properties of N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane?
N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane has a molecular weight of 153.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]methanimine;ethane is sourced from PubChem (CID 145312854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).