(E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine

C18H27NO — CID 146568600

IUPAC(E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine
SMILESC/C(=C\CN)CC/C=C1/C=C(C2=COCCC2)CCC1
InChIInChI=1S/C18H27NO/c1-15(10-11-19)5-2-6-16-7-3-8-17(13-16)18-9-4-12-20-14-18/h6,10,13-14H,2-5,7-9,11-12,19H2,1H3/b15-10+,16-6+
InChIKeyNPMGJESSQPUQLZ-YPBSEQFOSA-N
MW273.42 g/mol
LogP4.40
Rot. Bonds5

About (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine

(E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine (PubChem CID 146568600) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine.

Molecular Properties

Compound Name(E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine
PubChem CID146568600
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine
SMILESC/C(=C\CN)CC/C=C1/C=C(C2=COCCC2)CCC1
InChIInChI=1S/C18H27NO/c1-15(10-11-19)5-2-6-16-7-3-8-17(13-16)18-9-4-12-20-14-18/h6,10,13-14H,2-5,7-9,11-12,19H2,1H3/b15-10+,16-6+
InChIKeyNPMGJESSQPUQLZ-YPBSEQFOSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine?
The IUPAC name of (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine (CID 146568600) is (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine.
What is the SMILES notation for (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine?
The canonical SMILES for (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine is C/C(=C\CN)CC/C=C1/C=C(C2=COCCC2)CCC1.
What is the InChIKey of (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine?
The InChIKey is NPMGJESSQPUQLZ-YPBSEQFOSA-N. The full InChI is InChI=1S/C18H27NO/c1-15(10-11-19)5-2-6-16-7-3-8-17(13-16)18-9-4-12-20-14-18/h6,10,13-14H,2-5,7-9,11-12,19H2,1H3/b15-10+,16-6+.
What are the key properties of (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine?
(E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine is sourced from PubChem (CID 146568600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).