N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine

C12H21N — CID 129153529

IUPACN-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine
SMILESC=N/C=C\C(=C/C)C(CC)C(C)C
InChIInChI=1S/C12H21N/c1-6-11(8-9-13-5)12(7-2)10(3)4/h6,8-10,12H,5,7H2,1-4H3/b9-8-,11-6+
InChIKeyQWIWDZDCNAFSMF-XSONURMYSA-N
MW179.31 g/mol
LogP3.83
Rot. Bonds5

About N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine

N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine (PubChem CID 129153529) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine
PubChem CID129153529
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine
SMILESC=N/C=C\C(=C/C)C(CC)C(C)C
InChIInChI=1S/C12H21N/c1-6-11(8-9-13-5)12(7-2)10(3)4/h6,8-10,12H,5,7H2,1-4H3/b9-8-,11-6+
InChIKeyQWIWDZDCNAFSMF-XSONURMYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.83
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)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine?
The IUPAC name of N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine (CID 129153529) is N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine is C=N/C=C\C(=C/C)C(CC)C(C)C.
What is the InChIKey of N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine?
The InChIKey is QWIWDZDCNAFSMF-XSONURMYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-11(8-9-13-5)12(7-2)10(3)4/h6,8-10,12H,5,7H2,1-4H3/b9-8-,11-6+.
What are the key properties of N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine?
N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine is sourced from PubChem (CID 129153529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).