N-methylhexa-2,4-dien-1-imine

C7H11N — CID 58618417

IUPACN-methylhexa-2,4-dien-1-imine
SMILESCC=CC=C/C=N/C
InChIInChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h3-7H,1-2H3/b4-3?,6-5?,8-7+
InChIKeyADOMPLWNALIAHU-QJFNVLPESA-N
MW109.17 g/mol
LogP1.82
Rot. Bonds2

About N-methylhexa-2,4-dien-1-imine

N-methylhexa-2,4-dien-1-imine (PubChem CID 58618417) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methylhexa-2,4-dien-1-imine
PubChem CID58618417
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-methylhexa-2,4-dien-1-imine
SMILESCC=CC=C/C=N/C
InChIInChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h3-7H,1-2H3/b4-3?,6-5?,8-7+
InChIKeyADOMPLWNALIAHU-QJFNVLPESA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of N-methylhexa-2,4-dien-1-imine?
The IUPAC name of N-methylhexa-2,4-dien-1-imine (CID 58618417) is N-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for N-methylhexa-2,4-dien-1-imine?
The canonical SMILES for N-methylhexa-2,4-dien-1-imine is CC=CC=C/C=N/C.
What is the InChIKey of N-methylhexa-2,4-dien-1-imine?
The InChIKey is ADOMPLWNALIAHU-QJFNVLPESA-N. The full InChI is InChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h3-7H,1-2H3/b4-3?,6-5?,8-7+.
What are the key properties of N-methylhexa-2,4-dien-1-imine?
N-methylhexa-2,4-dien-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 58618417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).