N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine

C10H17N — CID 123210786

IUPACN-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine
SMILESCCC=C(C)/C=N/C=C/CC
InChIInChI=1S/C10H17N/c1-4-6-8-11-9-10(3)7-5-2/h6-9H,4-5H2,1-3H3/b8-6+,10-7?,11-9+
InChIKeyLJHBKQSXEDRJLU-JZGWDIGMSA-N
MW151.25 g/mol
LogP3.34
Rot. Bonds4

About N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine

N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine (PubChem CID 123210786) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine
PubChem CID123210786
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine
SMILESCCC=C(C)/C=N/C=C/CC
InChIInChI=1S/C10H17N/c1-4-6-8-11-9-10(3)7-5-2/h6-9H,4-5H2,1-3H3/b8-6+,10-7?,11-9+
InChIKeyLJHBKQSXEDRJLU-JZGWDIGMSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine?
The IUPAC name of N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine (CID 123210786) is N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine.
What is the SMILES notation for N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine?
The canonical SMILES for N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine is CCC=C(C)/C=N/C=C/CC.
What is the InChIKey of N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine?
The InChIKey is LJHBKQSXEDRJLU-JZGWDIGMSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-8-11-9-10(3)7-5-2/h6-9H,4-5H2,1-3H3/b8-6+,10-7?,11-9+.
What are the key properties of N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine?
N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine is sourced from PubChem (CID 123210786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).