N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine

C7H11N — CID 89300744

IUPACN-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine
SMILESC=C(C)/C=C\N=C\C
InChIInChI=1S/C7H11N/c1-4-8-6-5-7(2)3/h4-6H,2H2,1,3H3/b6-5-,8-4+
InChIKeyNBHOIYJOOLKJCG-QNMAEOQASA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine

N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine (PubChem CID 89300744) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine
PubChem CID89300744
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine
SMILESC=C(C)/C=C\N=C\C
InChIInChI=1S/C7H11N/c1-4-8-6-5-7(2)3/h4-6H,2H2,1,3H3/b6-5-,8-4+
InChIKeyNBHOIYJOOLKJCG-QNMAEOQASA-N
XLogP2.17
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 ≤ 52.17
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-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine (CID 89300744) is N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine is C=C(C)/C=C\N=C\C.
What is the InChIKey of N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine?
The InChIKey is NBHOIYJOOLKJCG-QNMAEOQASA-N. The full InChI is InChI=1S/C7H11N/c1-4-8-6-5-7(2)3/h4-6H,2H2,1,3H3/b6-5-,8-4+.
What are the key properties of N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine?
N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 89300744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).