N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine

C9H17N — CID 89227035

IUPACN-[(Z)-3,3-dimethylpent-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C)(C)CC
InChIInChI=1S/C9H17N/c1-5-9(3,4)7-8-10-6-2/h6-8H,5H2,1-4H3/b8-7-,10-6+
InChIKeyXJSWQUBPFGEKMM-SDHBEMGISA-N
MW139.24 g/mol
LogP3.03
Rot. Bonds3

About N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine

N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine (PubChem CID 89227035) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethylpent-1-enyl]ethanimine
PubChem CID89227035
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(Z)-3,3-dimethylpent-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C)(C)CC
InChIInChI=1S/C9H17N/c1-5-9(3,4)7-8-10-6-2/h6-8H,5H2,1-4H3/b8-7-,10-6+
InChIKeyXJSWQUBPFGEKMM-SDHBEMGISA-N
XLogP3.03
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 ≤ 53.03
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-[(Z)-3,3-dimethylpent-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine (CID 89227035) is N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine is C/C=N/C=C\C(C)(C)CC.
What is the InChIKey of N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine?
The InChIKey is XJSWQUBPFGEKMM-SDHBEMGISA-N. The full InChI is InChI=1S/C9H17N/c1-5-9(3,4)7-8-10-6-2/h6-8H,5H2,1-4H3/b8-7-,10-6+.
What are the key properties of N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine?
N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine has a molecular weight of 139.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine is sourced from PubChem (CID 89227035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).