4-(4-bromobutyl)-3,3-dimethylmorpholine

C10H20BrNO — CID 61430684

IUPAC4-(4-bromobutyl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1CCCCBr
InChIInChI=1S/C10H20BrNO/c1-10(2)9-13-8-7-12(10)6-4-3-5-11/h3-9H2,1-2H3
InChIKeyDICWBUXNHVAGDU-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds4

About 4-(4-bromobutyl)-3,3-dimethylmorpholine

4-(4-bromobutyl)-3,3-dimethylmorpholine (PubChem CID 61430684) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 4-(4-bromobutyl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-bromobutyl)-3,3-dimethylmorpholine
PubChem CID61430684
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name4-(4-bromobutyl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1CCCCBr
InChIInChI=1S/C10H20BrNO/c1-10(2)9-13-8-7-12(10)6-4-3-5-11/h3-9H2,1-2H3
InChIKeyDICWBUXNHVAGDU-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
5-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62461860
3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride
CID 112594686
3-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 61430784
4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
CID 66472303
4-(3,3-dimethylmorpholin-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62562752
6-(3,3-dimethylmorpholin-4-yl)-3,3-dimethylhexan-1-amine
CID 65296338
3,3-dimethyl-4-(3-piperidin-4-ylpropyl)morpholine
CID 62212366
methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
CID 61433080
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
CID 65247740
5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063786
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobutyl)-3,3-dimethylmorpholine?
The IUPAC name of 4-(4-bromobutyl)-3,3-dimethylmorpholine (CID 61430684) is 4-(4-bromobutyl)-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(4-bromobutyl)-3,3-dimethylmorpholine?
The canonical SMILES for 4-(4-bromobutyl)-3,3-dimethylmorpholine is CC1(C)COCCN1CCCCBr.
What is the InChIKey of 4-(4-bromobutyl)-3,3-dimethylmorpholine?
The InChIKey is DICWBUXNHVAGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-10(2)9-13-8-7-12(10)6-4-3-5-11/h3-9H2,1-2H3.
What are the key properties of 4-(4-bromobutyl)-3,3-dimethylmorpholine?
4-(4-bromobutyl)-3,3-dimethylmorpholine has a molecular weight of 250.18 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobutyl)-3,3-dimethylmorpholine is sourced from PubChem (CID 61430684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).