(2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine

C16H30N2 — CID 122535939

IUPAC(2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine
SMILES[H]/N=C/C(CCCC(C)(C)CCCC)=C(C)\N=C\C
InChIInChI=1S/C16H30N2/c1-6-8-11-16(4,5)12-9-10-15(13-17)14(3)18-7-2/h7,13,17H,6,8-12H2,1-5H3/b15-14-,17-13+,18-7+
InChIKeyAYMJDBDHMPREEM-RZBSTAHGSA-N
MW250.43 g/mol
LogP5.39
Rot. Bonds9

About (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine

(2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine (PubChem CID 122535939) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine.

Molecular Properties

Compound Name(2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine
PubChem CID122535939
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine
SMILES[H]/N=C/C(CCCC(C)(C)CCCC)=C(C)\N=C\C
InChIInChI=1S/C16H30N2/c1-6-8-11-16(4,5)12-9-10-15(13-17)14(3)18-7-2/h7,13,17H,6,8-12H2,1-5H3/b15-14-,17-13+,18-7+
InChIKeyAYMJDBDHMPREEM-RZBSTAHGSA-N
XLogP5.39
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine?
The IUPAC name of (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine (CID 122535939) is (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine.
What is the SMILES notation for (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine?
The canonical SMILES for (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine is [H]/N=C/C(CCCC(C)(C)CCCC)=C(C)\N=C\C.
What is the InChIKey of (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine?
The InChIKey is AYMJDBDHMPREEM-RZBSTAHGSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-8-11-16(4,5)12-9-10-15(13-17)14(3)18-7-2/h7,13,17H,6,8-12H2,1-5H3/b15-14-,17-13+,18-7+.
What are the key properties of (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine?
(2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine has a molecular weight of 250.43 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(ethylideneamino)ethylidene]-6,6-dimethyldecan-1-imine is sourced from PubChem (CID 122535939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).