N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine

C10H17N — CID 135254385

IUPACN-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine
SMILESC=N/C=C\C(=C/C)C(C)CC
InChIInChI=1S/C10H17N/c1-5-9(3)10(6-2)7-8-11-4/h6-9H,4-5H2,1-3H3/b8-7-,10-6+
InChIKeyGWVKEZJQXBFKRD-SDHBEMGISA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds4

About N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine

N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine (PubChem CID 135254385) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine
PubChem CID135254385
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine
SMILESC=N/C=C\C(=C/C)C(C)CC
InChIInChI=1S/C10H17N/c1-5-9(3)10(6-2)7-8-11-4/h6-9H,4-5H2,1-3H3/b8-7-,10-6+
InChIKeyGWVKEZJQXBFKRD-SDHBEMGISA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine?
The IUPAC name of N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine (CID 135254385) is N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine is C=N/C=C\C(=C/C)C(C)CC.
What is the InChIKey of N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine?
The InChIKey is GWVKEZJQXBFKRD-SDHBEMGISA-N. The full InChI is InChI=1S/C10H17N/c1-5-9(3)10(6-2)7-8-11-4/h6-9H,4-5H2,1-3H3/b8-7-,10-6+.
What are the key properties of N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine?
N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine is sourced from PubChem (CID 135254385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).