N-[(E)-3-tert-butylpent-3-enyl]ethanimine

C11H21N — CID 170091861

IUPACN-[(E)-3-tert-butylpent-3-enyl]ethanimine
SMILESC/C=N/CC/C(=C\C)C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-10(11(3,4)5)8-9-12-7-2/h6-7H,8-9H2,1-5H3/b10-6+,12-7+
InChIKeyDMQHBMVLVWHUEP-QXZILWSFSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds3

About N-[(E)-3-tert-butylpent-3-enyl]ethanimine

N-[(E)-3-tert-butylpent-3-enyl]ethanimine (PubChem CID 170091861) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(E)-3-tert-butylpent-3-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-3-tert-butylpent-3-enyl]ethanimine
PubChem CID170091861
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(E)-3-tert-butylpent-3-enyl]ethanimine
SMILESC/C=N/CC/C(=C\C)C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-10(11(3,4)5)8-9-12-7-2/h6-7H,8-9H2,1-5H3/b10-6+,12-7+
InChIKeyDMQHBMVLVWHUEP-QXZILWSFSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-tert-butylpent-3-enyl]ethanimine?
The IUPAC name of N-[(E)-3-tert-butylpent-3-enyl]ethanimine (CID 170091861) is N-[(E)-3-tert-butylpent-3-enyl]ethanimine.
What is the SMILES notation for N-[(E)-3-tert-butylpent-3-enyl]ethanimine?
The canonical SMILES for N-[(E)-3-tert-butylpent-3-enyl]ethanimine is C/C=N/CC/C(=C\C)C(C)(C)C.
What is the InChIKey of N-[(E)-3-tert-butylpent-3-enyl]ethanimine?
The InChIKey is DMQHBMVLVWHUEP-QXZILWSFSA-N. The full InChI is InChI=1S/C11H21N/c1-6-10(11(3,4)5)8-9-12-7-2/h6-7H,8-9H2,1-5H3/b10-6+,12-7+.
What are the key properties of N-[(E)-3-tert-butylpent-3-enyl]ethanimine?
N-[(E)-3-tert-butylpent-3-enyl]ethanimine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-tert-butylpent-3-enyl]ethanimine is sourced from PubChem (CID 170091861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).