ethane;4-ethylmorpholine;1-methoxy-4-methylpentane

C15H35NO2 — CID 163401074

IUPACethane;4-ethylmorpholine;1-methoxy-4-methylpentane
SMILESCC.CCN1CCOCC1.COCCCC(C)C
InChIInChI=1S/C7H16O.C6H13NO.C2H6/c1-7(2)5-4-6-8-3;1-2-7-3-5-8-6-4-7;1-2/h7H,4-6H2,1-3H3;2-6H2,1H3;1-2H3
InChIKeyODDOMGQPUFEIKK-UHFFFAOYSA-N
MW261.45 g/mol
LogP3.43
Rot. Bonds5

About ethane;4-ethylmorpholine;1-methoxy-4-methylpentane

ethane;4-ethylmorpholine;1-methoxy-4-methylpentane (PubChem CID 163401074) has the molecular formula C15H35NO2 and a molecular weight of 261.45 g/mol. Its IUPAC name is ethane;4-ethylmorpholine;1-methoxy-4-methylpentane.

Molecular Properties

Compound Nameethane;4-ethylmorpholine;1-methoxy-4-methylpentane
PubChem CID163401074
Molecular FormulaC15H35NO2
Molecular Weight261.45 g/mol
Exact Mass261.27
IUPAC Nameethane;4-ethylmorpholine;1-methoxy-4-methylpentane
SMILESCC.CCN1CCOCC1.COCCCC(C)C
InChIInChI=1S/C7H16O.C6H13NO.C2H6/c1-7(2)5-4-6-8-3;1-2-7-3-5-8-6-4-7;1-2/h7H,4-6H2,1-3H3;2-6H2,1H3;1-2H3
InChIKeyODDOMGQPUFEIKK-UHFFFAOYSA-N
XLogP3.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 163400303
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CID 163946304
2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
1-methoxy-4,8-dimethylnonane
CID 90974533
N,N-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine
CID 176932414
1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
CID 161159887
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylmorpholine;1-methoxy-4-methylpentane?
The IUPAC name of ethane;4-ethylmorpholine;1-methoxy-4-methylpentane (CID 163401074) is ethane;4-ethylmorpholine;1-methoxy-4-methylpentane.
What is the SMILES notation for ethane;4-ethylmorpholine;1-methoxy-4-methylpentane?
The canonical SMILES for ethane;4-ethylmorpholine;1-methoxy-4-methylpentane is CC.CCN1CCOCC1.COCCCC(C)C.
What is the InChIKey of ethane;4-ethylmorpholine;1-methoxy-4-methylpentane?
The InChIKey is ODDOMGQPUFEIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C6H13NO.C2H6/c1-7(2)5-4-6-8-3;1-2-7-3-5-8-6-4-7;1-2/h7H,4-6H2,1-3H3;2-6H2,1H3;1-2H3.
What are the key properties of ethane;4-ethylmorpholine;1-methoxy-4-methylpentane?
ethane;4-ethylmorpholine;1-methoxy-4-methylpentane has a molecular weight of 261.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylmorpholine;1-methoxy-4-methylpentane is sourced from PubChem (CID 163401074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).