ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine

C15H27NO — CID 143021023

IUPACethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine
SMILESC=C(/C=C\C=C(C)C)CN1CCOCC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-12(2)5-4-6-13(3)11-14-7-9-15-10-8-14;1-2/h4-6H,3,7-11H2,1-2H3;1-2H3/b6-4-;
InChIKeyNRDADKBMGLPAJA-YHSAGPEESA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds4

About ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine

ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine (PubChem CID 143021023) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine.

Molecular Properties

Compound Nameethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine
PubChem CID143021023
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine
SMILESC=C(/C=C\C=C(C)C)CN1CCOCC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-12(2)5-4-6-13(3)11-14-7-9-15-10-8-14;1-2/h4-6H,3,7-11H2,1-2H3;1-2H3/b6-4-;
InChIKeyNRDADKBMGLPAJA-YHSAGPEESA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
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

(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70026725
4-(2-methylbuta-2,3-dienyl)morpholine
CID 14891012
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
2-[[(1E,3Z)-1-amino-5-(morpholin-4-ylmethyl)hexa-1,3,5-trienyl]amino]-5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]thiophene-3-carboxamide
CID 89223151
ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene
CID 142324837
(E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine
CID 11362000
N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine
CID 131865481
4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine
CID 143805483
trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
CID 56655901

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine?
The IUPAC name of ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine (CID 143021023) is ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine.
What is the SMILES notation for ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine?
The canonical SMILES for ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine is C=C(/C=C\C=C(C)C)CN1CCOCC1.CC.
What is the InChIKey of ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine?
The InChIKey is NRDADKBMGLPAJA-YHSAGPEESA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-12(2)5-4-6-13(3)11-14-7-9-15-10-8-14;1-2/h4-6H,3,7-11H2,1-2H3;1-2H3/b6-4-;.
What are the key properties of ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine?
ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine is sourced from PubChem (CID 143021023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).