N-tert-butylpent-4-en-1-imine

C9H17N — CID 87184236

IUPACN-tert-butylpent-4-en-1-imine
SMILESC=CCC/C=N/C(C)(C)C
InChIInChI=1S/C9H17N/c1-5-6-7-8-10-9(2,3)4/h5,8H,1,6-7H2,2-4H3/b10-8+
InChIKeyZIEDGAWJUCOFHT-CSKARUKUSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds3

About N-tert-butylpent-4-en-1-imine

N-tert-butylpent-4-en-1-imine (PubChem CID 87184236) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-tert-butylpent-4-en-1-imine.

Molecular Properties

Compound NameN-tert-butylpent-4-en-1-imine
PubChem CID87184236
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-tert-butylpent-4-en-1-imine
SMILESC=CCC/C=N/C(C)(C)C
InChIInChI=1S/C9H17N/c1-5-6-7-8-10-9(2,3)4/h5,8H,1,6-7H2,2-4H3/b10-8+
InChIKeyZIEDGAWJUCOFHT-CSKARUKUSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-tert-butylpent-4-en-1-imine?
The IUPAC name of N-tert-butylpent-4-en-1-imine (CID 87184236) is N-tert-butylpent-4-en-1-imine.
What is the SMILES notation for N-tert-butylpent-4-en-1-imine?
The canonical SMILES for N-tert-butylpent-4-en-1-imine is C=CCC/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butylpent-4-en-1-imine?
The InChIKey is ZIEDGAWJUCOFHT-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-7-8-10-9(2,3)4/h5,8H,1,6-7H2,2-4H3/b10-8+.
What are the key properties of N-tert-butylpent-4-en-1-imine?
N-tert-butylpent-4-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpent-4-en-1-imine is sourced from PubChem (CID 87184236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).