4-butylmorpholine;ethane;N-ethyl-N-methylformamide

C14H32N2O2 — CID 156802754

IUPAC4-butylmorpholine;ethane;N-ethyl-N-methylformamide
SMILESCC.CCCCN1CCOCC1.CCN(C)C=O
InChIInChI=1S/C8H17NO.C4H9NO.C2H6/c1-2-3-4-9-5-7-10-8-6-9;1-3-5(2)4-6;1-2/h2-8H2,1H3;4H,3H2,1-2H3;1-2H3
InChIKeyDUHSFUSTGNXAGZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.24
Rot. Bonds5

About 4-butylmorpholine;ethane;N-ethyl-N-methylformamide

4-butylmorpholine;ethane;N-ethyl-N-methylformamide (PubChem CID 156802754) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-butylmorpholine;ethane;N-ethyl-N-methylformamide.

Molecular Properties

Compound Name4-butylmorpholine;ethane;N-ethyl-N-methylformamide
PubChem CID156802754
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name4-butylmorpholine;ethane;N-ethyl-N-methylformamide
SMILESCC.CCCCN1CCOCC1.CCN(C)C=O
InChIInChI=1S/C8H17NO.C4H9NO.C2H6/c1-2-3-4-9-5-7-10-8-6-9;1-3-5(2)4-6;1-2/h2-8H2,1H3;4H,3H2,1-2H3;1-2H3
InChIKeyDUHSFUSTGNXAGZ-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butylmorpholine;N,N-dimethylformamide
CID 178173228
butane;4-butylmorpholine
CID 177152600
4-hexylmorpholine
CID 3614751
ethane;4-propylmorpholine
CID 143004992
N-methyl-3-morpholin-4-yl-N-propylpropan-1-amine
CID 146735339
1-butylpyrrolidine;1,4-dioxane
CID 159502773
4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
CID 87292423
4-hexyl-1,4-oxazepane
CID 166849903
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
4-propylmorpholine;hydrobromide
CID 70540609

Frequently Asked Questions

What is the IUPAC name of 4-butylmorpholine;ethane;N-ethyl-N-methylformamide?
The IUPAC name of 4-butylmorpholine;ethane;N-ethyl-N-methylformamide (CID 156802754) is 4-butylmorpholine;ethane;N-ethyl-N-methylformamide.
What is the SMILES notation for 4-butylmorpholine;ethane;N-ethyl-N-methylformamide?
The canonical SMILES for 4-butylmorpholine;ethane;N-ethyl-N-methylformamide is CC.CCCCN1CCOCC1.CCN(C)C=O.
What is the InChIKey of 4-butylmorpholine;ethane;N-ethyl-N-methylformamide?
The InChIKey is DUHSFUSTGNXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C4H9NO.C2H6/c1-2-3-4-9-5-7-10-8-6-9;1-3-5(2)4-6;1-2/h2-8H2,1H3;4H,3H2,1-2H3;1-2H3.
What are the key properties of 4-butylmorpholine;ethane;N-ethyl-N-methylformamide?
4-butylmorpholine;ethane;N-ethyl-N-methylformamide has a molecular weight of 260.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylmorpholine;ethane;N-ethyl-N-methylformamide is sourced from PubChem (CID 156802754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).