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

C18H25NO — CID 121373944

IUPAC(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
SMILESCC(/C=C/C=C1/C=C(C2=COCCC2)CCC1)=C\CN
InChIInChI=1S/C18H25NO/c1-15(10-11-19)5-2-6-16-7-3-8-17(13-16)18-9-4-12-20-14-18/h2,5-6,10,13-14H,3-4,7-9,11-12,19H2,1H3/b5-2+,15-10+,16-6+
InChIKeyFGICABBRSPLULB-LOYRPECYSA-N
MW271.40 g/mol
LogP4.18
Rot. Bonds4

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

(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine (PubChem CID 121373944) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
PubChem CID121373944
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
SMILESCC(/C=C/C=C1/C=C(C2=COCCC2)CCC1)=C\CN
InChIInChI=1S/C18H25NO/c1-15(10-11-19)5-2-6-16-7-3-8-17(13-16)18-9-4-12-20-14-18/h2,5-6,10,13-14H,3-4,7-9,11-12,19H2,1H3/b5-2+,15-10+,16-6+
InChIKeyFGICABBRSPLULB-LOYRPECYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine (CID 121373944) is (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine is CC(/C=C/C=C1/C=C(C2=COCCC2)CCC1)=C\CN.
What is the InChIKey of (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine?
The InChIKey is FGICABBRSPLULB-LOYRPECYSA-N. The full InChI is InChI=1S/C18H25NO/c1-15(10-11-19)5-2-6-16-7-3-8-17(13-16)18-9-4-12-20-14-18/h2,5-6,10,13-14H,3-4,7-9,11-12,19H2,1H3/b5-2+,15-10+,16-6+.
What are the key properties of (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine?
(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 121373944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).