N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine

C12H21N — CID 130348009

IUPACN-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
SMILESC=C(/C=C(\N=C\C)C(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-7-13-12(10(4)5)8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-8-,13-7+
InChIKeyUASDRJQMPJDCBN-CZAVNJROSA-N
MW179.31 g/mol
LogP3.83
Rot. Bonds4

About N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine

N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine (PubChem CID 130348009) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
PubChem CID130348009
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
SMILESC=C(/C=C(\N=C\C)C(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-7-13-12(10(4)5)8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-8-,13-7+
InChIKeyUASDRJQMPJDCBN-CZAVNJROSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine?
The IUPAC name of N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine (CID 130348009) is N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine.
What is the SMILES notation for N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine?
The canonical SMILES for N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine is C=C(/C=C(\N=C\C)C(C)C)C(C)C.
What is the InChIKey of N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine?
The InChIKey is UASDRJQMPJDCBN-CZAVNJROSA-N. The full InChI is InChI=1S/C12H21N/c1-7-13-12(10(4)5)8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-8-,13-7+.
What are the key properties of N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine?
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine has a molecular weight of 179.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine is sourced from PubChem (CID 130348009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).