(6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine

C20H34N2 — CID 155030416

IUPAC(6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine
SMILESC=C/C(=C/C1=C(N=C)C(C)(C)CCC1)CCC(C)CCNC
InChIInChI=1S/C20H34N2/c1-7-17(11-10-16(2)12-14-21-5)15-18-9-8-13-20(3,4)19(18)22-6/h7,15-16,21H,1,6,8-14H2,2-5H3/b17-15-
InChIKeyVABHJBBQQIWGLU-ICFOKQHNSA-N
MW302.51 g/mol
LogP5.29
Rot. Bonds9

About (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine

(6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine (PubChem CID 155030416) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine.

Molecular Properties

Compound Name(6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine
PubChem CID155030416
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name(6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine
SMILESC=C/C(=C/C1=C(N=C)C(C)(C)CCC1)CCC(C)CCNC
InChIInChI=1S/C20H34N2/c1-7-17(11-10-16(2)12-14-21-5)15-18-9-8-13-20(3,4)19(18)22-6/h7,15-16,21H,1,6,8-14H2,2-5H3/b17-15-
InChIKeyVABHJBBQQIWGLU-ICFOKQHNSA-N
XLogP5.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine?
The IUPAC name of (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine (CID 155030416) is (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine.
What is the SMILES notation for (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine?
The canonical SMILES for (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine is C=C/C(=C/C1=C(N=C)C(C)(C)CCC1)CCC(C)CCNC.
What is the InChIKey of (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine?
The InChIKey is VABHJBBQQIWGLU-ICFOKQHNSA-N. The full InChI is InChI=1S/C20H34N2/c1-7-17(11-10-16(2)12-14-21-5)15-18-9-8-13-20(3,4)19(18)22-6/h7,15-16,21H,1,6,8-14H2,2-5H3/b17-15-.
What are the key properties of (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine?
(6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine has a molecular weight of 302.51 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[[3,3-dimethyl-2-(methylideneamino)cyclohexen-1-yl]methylidene]-N,3-dimethyloct-7-en-1-amine is sourced from PubChem (CID 155030416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).