N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine

C9H13N — CID 135174742

IUPACN-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C(C)/C=C/C
InChIInChI=1S/C9H13N/c1-4-6-9(3)8-10-7-5-2/h4-8H,2H2,1,3H3/b6-4+,9-8+,10-7+
InChIKeyOMPDXBITBGGFTB-YFDRZOHNSA-N
MW135.21 g/mol
LogP2.72
Rot. Bonds3

About N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine

N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine (PubChem CID 135174742) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine
PubChem CID135174742
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C(C)/C=C/C
InChIInChI=1S/C9H13N/c1-4-6-9(3)8-10-7-5-2/h4-8H,2H2,1,3H3/b6-4+,9-8+,10-7+
InChIKeyOMPDXBITBGGFTB-YFDRZOHNSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.72
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

Bromozinc(1+) 3-methylpyridin-2-ide
CID 16133065
Lithium 5-methylpyridin-2-ide
CID 15815864
Benzazocine
CID 19879720
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
Lithium 3-methylpyridin-2-ide
CID 16177570
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine?
The IUPAC name of N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine (CID 135174742) is N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine?
The canonical SMILES for N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine is C=C/C=N/C=C(C)/C=C/C.
What is the InChIKey of N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine?
The InChIKey is OMPDXBITBGGFTB-YFDRZOHNSA-N. The full InChI is InChI=1S/C9H13N/c1-4-6-9(3)8-10-7-5-2/h4-8H,2H2,1,3H3/b6-4+,9-8+,10-7+.
What are the key properties of N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine?
N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine is sourced from PubChem (CID 135174742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).