N-[(Z)-5-methylhex-2-en-2-yl]ethanimine

C9H17N — CID 89193948

IUPACN-[(Z)-5-methylhex-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\CC(C)C
InChIInChI=1S/C9H17N/c1-5-10-9(4)7-6-8(2)3/h5,7-8H,6H2,1-4H3/b9-7-,10-5+
InChIKeyMVKCCIFFGVMKKC-WRBIUVHKSA-N
MW139.24 g/mol
LogP3.03
Rot. Bonds3

About N-[(Z)-5-methylhex-2-en-2-yl]ethanimine

N-[(Z)-5-methylhex-2-en-2-yl]ethanimine (PubChem CID 89193948) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(Z)-5-methylhex-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-5-methylhex-2-en-2-yl]ethanimine
PubChem CID89193948
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(Z)-5-methylhex-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\CC(C)C
InChIInChI=1S/C9H17N/c1-5-10-9(4)7-6-8(2)3/h5,7-8H,6H2,1-4H3/b9-7-,10-5+
InChIKeyMVKCCIFFGVMKKC-WRBIUVHKSA-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)-5-methylhex-2-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-5-methylhex-2-en-2-yl]ethanimine (CID 89193948) is N-[(Z)-5-methylhex-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-5-methylhex-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-5-methylhex-2-en-2-yl]ethanimine is C/C=N/C(C)=C\CC(C)C.
What is the InChIKey of N-[(Z)-5-methylhex-2-en-2-yl]ethanimine?
The InChIKey is MVKCCIFFGVMKKC-WRBIUVHKSA-N. The full InChI is InChI=1S/C9H17N/c1-5-10-9(4)7-6-8(2)3/h5,7-8H,6H2,1-4H3/b9-7-,10-5+.
What are the key properties of N-[(Z)-5-methylhex-2-en-2-yl]ethanimine?
N-[(Z)-5-methylhex-2-en-2-yl]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)-5-methylhex-2-en-2-yl]ethanimine is sourced from PubChem (CID 89193948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).