2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine

C10H18BrNO — CID 107901151

IUPAC2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine
SMILESCC(C)=CCN1CCOC(CBr)C1
InChIInChI=1S/C10H18BrNO/c1-9(2)3-4-12-5-6-13-10(7-11)8-12/h3,10H,4-8H2,1-2H3
InChIKeyYAEWTNVCURUVAB-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.05
Rot. Bonds3

About 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine

2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine (PubChem CID 107901151) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine
PubChem CID107901151
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine
SMILESCC(C)=CCN1CCOC(CBr)C1
InChIInChI=1S/C10H18BrNO/c1-9(2)3-4-12-5-6-13-10(7-11)8-12/h3,10H,4-8H2,1-2H3
InChIKeyYAEWTNVCURUVAB-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-(3-methylbut-2-enyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978876
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
2-(bromomethyl)-4-(cyclopentylmethyl)morpholine
CID 81212858
4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
CID 81214018
2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
CID 103413126
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
CID 56710225
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
2-(bromomethyl)-4-pentan-3-ylmorpholine
CID 81213271
2,4-diethylmorpholine
CID 58988021
2-(2-hydroxymorpholin-4-yl)acetaldehyde
CID 90238085

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine (CID 107901151) is 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine is CC(C)=CCN1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine?
The InChIKey is YAEWTNVCURUVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(2)3-4-12-5-6-13-10(7-11)8-12/h3,10H,4-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine?
2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine has a molecular weight of 248.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine is sourced from PubChem (CID 107901151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).