ethane;1-methoxybutane;4-(2-methylpropyl)morpholine

C17H41NO2 — CID 163400303

IUPACethane;1-methoxybutane;4-(2-methylpropyl)morpholine
SMILESCC.CC.CC(C)CN1CCOCC1.CCCCOC
InChIInChI=1S/C8H17NO.C5H12O.2C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-3-4-5-6-2;2*1-2/h8H,3-7H2,1-2H3;3-5H2,1-2H3;2*1-2H3
InChIKeyRIQZWAYFRQMFPK-UHFFFAOYSA-N
MW291.52 g/mol
LogP4.46
Rot. Bonds5

About ethane;1-methoxybutane;4-(2-methylpropyl)morpholine

ethane;1-methoxybutane;4-(2-methylpropyl)morpholine (PubChem CID 163400303) has the molecular formula C17H41NO2 and a molecular weight of 291.52 g/mol. Its IUPAC name is ethane;1-methoxybutane;4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Nameethane;1-methoxybutane;4-(2-methylpropyl)morpholine
PubChem CID163400303
Molecular FormulaC17H41NO2
Molecular Weight291.52 g/mol
Exact Mass291.31
IUPAC Nameethane;1-methoxybutane;4-(2-methylpropyl)morpholine
SMILESCC.CC.CC(C)CN1CCOCC1.CCCCOC
InChIInChI=1S/C8H17NO.C5H12O.2C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-3-4-5-6-2;2*1-2/h8H,3-7H2,1-2H3;3-5H2,1-2H3;2*1-2H3
InChIKeyRIQZWAYFRQMFPK-UHFFFAOYSA-N
XLogP4.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.52
LogP ≤ 54.46
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

4-Isobutylmorpholine
CID 66306
Neopentyl morpholine
CID 13947442
N-(3-methylbutyl)morpholine
CID 12709911
Isobutoxymethyl-morpholine
CID 21821388
(2R,6S)-4-isobutyl-2,6-dimethylmorpholine
CID 23262062
4-Methyl-4-propylmorpholin-4-ium
CID 421396
4-(3-Fluoro-2-methylpropyl)morpholine
CID 89246641
4-(4-Ethoxybutyl)morpholine
CID 10726253
4-(1-Butoxy-2-methylpropyl)morpholine
CID 71332307
Triethyl-[2-[2-(4-ethylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium
CID 116319
N,N-Bis(2-methylpropyl)-4-morpholinepropylamine
CID 11970895
4-[2-Methyl-3-(2-methyl-3-morpholin-4-ylpropoxy)propyl]morpholine
CID 10566164

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxybutane;4-(2-methylpropyl)morpholine?
The IUPAC name of ethane;1-methoxybutane;4-(2-methylpropyl)morpholine (CID 163400303) is ethane;1-methoxybutane;4-(2-methylpropyl)morpholine.
What is the SMILES notation for ethane;1-methoxybutane;4-(2-methylpropyl)morpholine?
The canonical SMILES for ethane;1-methoxybutane;4-(2-methylpropyl)morpholine is CC.CC.CC(C)CN1CCOCC1.CCCCOC.
What is the InChIKey of ethane;1-methoxybutane;4-(2-methylpropyl)morpholine?
The InChIKey is RIQZWAYFRQMFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C5H12O.2C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-3-4-5-6-2;2*1-2/h8H,3-7H2,1-2H3;3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methoxybutane;4-(2-methylpropyl)morpholine?
ethane;1-methoxybutane;4-(2-methylpropyl)morpholine has a molecular weight of 291.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxybutane;4-(2-methylpropyl)morpholine is sourced from PubChem (CID 163400303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).