4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine

C12H25NO2 — CID 122156874

IUPAC4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine
SMILESCOCCCN1CCOCC1CC(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)9-12-10-15-8-6-13(12)5-4-7-14-3/h11-12H,4-10H2,1-3H3
InChIKeyJXWWYOINWKVEMV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.77
Rot. Bonds6

About 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine

4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine (PubChem CID 122156874) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine
PubChem CID122156874
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine
SMILESCOCCCN1CCOCC1CC(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)9-12-10-15-8-6-13(12)5-4-7-14-3/h11-12H,4-10H2,1-3H3
InChIKeyJXWWYOINWKVEMV-UHFFFAOYSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.77
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

(3R)-4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine
CID 124504772
1-[4-(3-methoxypropyl)morpholin-3-yl]-N-methylmethanamine
CID 83100394
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746
3-(2-methylpropyl)-4-propan-2-ylmorpholine
CID 58279606
3-[4-(2-methoxyethyl)morpholin-3-yl]propanoic acid
CID 117009385
N-methyl-1-[4-(2-propan-2-yloxyethyl)morpholin-3-yl]methanamine
CID 83100152
4-(3-chloropropyl)-3-ethylmorpholine
CID 61288570
4-(3-bromopropyl)-3-ethylmorpholine
CID 61288372
N-[(4-nonylmorpholin-3-yl)methyl]propan-2-amine
CID 83100021
4-ethyl-3-(methoxymethyl)morpholine
CID 126561554
3-[(3R)-3-methylmorpholin-4-yl]propyl hypoiodite
CID 170083602
3,4-di(tridecyl)morpholine
CID 172742724

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine?
The IUPAC name of 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine (CID 122156874) is 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine.
What is the SMILES notation for 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine?
The canonical SMILES for 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine is COCCCN1CCOCC1CC(C)C.
What is the InChIKey of 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine?
The InChIKey is JXWWYOINWKVEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)9-12-10-15-8-6-13(12)5-4-7-14-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine?
4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine has a molecular weight of 215.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine is sourced from PubChem (CID 122156874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).