ethane;morpholine-4-carbaldehyde;1,3-xylene

C15H25NO2 — CID 142911408

IUPACethane;morpholine-4-carbaldehyde;1,3-xylene
SMILESCC.Cc1cccc(C)c1.O=CN1CCOCC1
InChIInChI=1S/C8H10.C5H9NO2.C2H6/c1-7-4-3-5-8(2)6-7;7-5-6-1-3-8-4-2-6;1-2/h3-6H,1-2H3;5H,1-4H2;1-2H3
InChIKeyKCNNOZQWDGBONP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.80
Rot. Bonds1

About ethane;morpholine-4-carbaldehyde;1,3-xylene

ethane;morpholine-4-carbaldehyde;1,3-xylene (PubChem CID 142911408) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethane;morpholine-4-carbaldehyde;1,3-xylene.

Molecular Properties

Compound Nameethane;morpholine-4-carbaldehyde;1,3-xylene
PubChem CID142911408
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethane;morpholine-4-carbaldehyde;1,3-xylene
SMILESCC.Cc1cccc(C)c1.O=CN1CCOCC1
InChIInChI=1S/C8H10.C5H9NO2.C2H6/c1-7-4-3-5-8(2)6-7;7-5-6-1-3-8-4-2-6;1-2/h3-6H,1-2H3;5H,1-4H2;1-2H3
InChIKeyKCNNOZQWDGBONP-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
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4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
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4,10,16,22-tetrakis(3-methylphenyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-3,11,15,23-tetrone
CID 100991495
morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline
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ethane;methane;1,3-xylene
CID 145463381
1-chloropropane;morpholine-4-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of ethane;morpholine-4-carbaldehyde;1,3-xylene?
The IUPAC name of ethane;morpholine-4-carbaldehyde;1,3-xylene (CID 142911408) is ethane;morpholine-4-carbaldehyde;1,3-xylene.
What is the SMILES notation for ethane;morpholine-4-carbaldehyde;1,3-xylene?
The canonical SMILES for ethane;morpholine-4-carbaldehyde;1,3-xylene is CC.Cc1cccc(C)c1.O=CN1CCOCC1.
What is the InChIKey of ethane;morpholine-4-carbaldehyde;1,3-xylene?
The InChIKey is KCNNOZQWDGBONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H9NO2.C2H6/c1-7-4-3-5-8(2)6-7;7-5-6-1-3-8-4-2-6;1-2/h3-6H,1-2H3;5H,1-4H2;1-2H3.
What are the key properties of ethane;morpholine-4-carbaldehyde;1,3-xylene?
ethane;morpholine-4-carbaldehyde;1,3-xylene has a molecular weight of 251.37 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;morpholine-4-carbaldehyde;1,3-xylene is sourced from PubChem (CID 142911408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).