4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine

C14H23NO — CID 166476539

IUPAC4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine
SMILESC=C/C(=C(/C)C(=C)C(C)C)N1CCOCC1
InChIInChI=1S/C14H23NO/c1-6-14(13(5)12(4)11(2)3)15-7-9-16-10-8-15/h6,11H,1,4,7-10H2,2-3,5H3/b14-13+
InChIKeyKLBBTSUVGYRIQK-BUHFOSPRSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds4

About 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine

4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine (PubChem CID 166476539) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine
PubChem CID166476539
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine
SMILESC=C/C(=C(/C)C(=C)C(C)C)N1CCOCC1
InChIInChI=1S/C14H23NO/c1-6-14(13(5)12(4)11(2)3)15-7-9-16-10-8-15/h6,11H,1,4,7-10H2,2-3,5H3/b14-13+
InChIKeyKLBBTSUVGYRIQK-BUHFOSPRSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethylpent-2-en-3-yl)morpholine
CID 5100912
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
[4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone
CID 147217373
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 142175589
(E)-2-methyl-3-morpholin-4-ylbut-2-enoic acid
CID 66776820
4-penta-1,2,4-trien-3-ylmorpholine
CID 144961397
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 24899376
N-[(1Z)-3-methylbuta-1,3-dienyl]-1-morpholin-4-ylethanimine
CID 170440486
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine?
The IUPAC name of 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine (CID 166476539) is 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine.
What is the SMILES notation for 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine?
The canonical SMILES for 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine is C=C/C(=C(/C)C(=C)C(C)C)N1CCOCC1.
What is the InChIKey of 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine?
The InChIKey is KLBBTSUVGYRIQK-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-14(13(5)12(4)11(2)3)15-7-9-16-10-8-15/h6,11H,1,4,7-10H2,2-3,5H3/b14-13+.
What are the key properties of 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine?
4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine has a molecular weight of 221.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine is sourced from PubChem (CID 166476539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).