N-[(Z)-6-methylhept-3-enyl]ethanimine

C10H19N — CID 166839751

IUPACN-[(Z)-6-methylhept-3-enyl]ethanimine
SMILESC/C=N/CC/C=C\CC(C)C
InChIInChI=1S/C10H19N/c1-4-11-9-7-5-6-8-10(2)3/h4-6,10H,7-9H2,1-3H3/b6-5-,11-4+
InChIKeyHGUKHOFJVXGTNF-VWXLBWAMSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds5

About N-[(Z)-6-methylhept-3-enyl]ethanimine

N-[(Z)-6-methylhept-3-enyl]ethanimine (PubChem CID 166839751) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(Z)-6-methylhept-3-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-6-methylhept-3-enyl]ethanimine
PubChem CID166839751
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(Z)-6-methylhept-3-enyl]ethanimine
SMILESC/C=N/CC/C=C\CC(C)C
InChIInChI=1S/C10H19N/c1-4-11-9-7-5-6-8-10(2)3/h4-6,10H,7-9H2,1-3H3/b6-5-,11-4+
InChIKeyHGUKHOFJVXGTNF-VWXLBWAMSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
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-[(Z)-6-methylhept-3-enyl]ethanimine?
The IUPAC name of N-[(Z)-6-methylhept-3-enyl]ethanimine (CID 166839751) is N-[(Z)-6-methylhept-3-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-6-methylhept-3-enyl]ethanimine?
The canonical SMILES for N-[(Z)-6-methylhept-3-enyl]ethanimine is C/C=N/CC/C=C\CC(C)C.
What is the InChIKey of N-[(Z)-6-methylhept-3-enyl]ethanimine?
The InChIKey is HGUKHOFJVXGTNF-VWXLBWAMSA-N. The full InChI is InChI=1S/C10H19N/c1-4-11-9-7-5-6-8-10(2)3/h4-6,10H,7-9H2,1-3H3/b6-5-,11-4+.
What are the key properties of N-[(Z)-6-methylhept-3-enyl]ethanimine?
N-[(Z)-6-methylhept-3-enyl]ethanimine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-6-methylhept-3-enyl]ethanimine is sourced from PubChem (CID 166839751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).