3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine

C10H21BrN2O — CID 114526736

IUPAC3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCOCC1CBr
InChIInChI=1S/C10H21BrN2O/c1-12(2)4-3-5-13-6-7-14-9-10(13)8-11/h10H,3-9H2,1-2H3
InChIKeyKYDOMBFDWQNIEK-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.03
Rot. Bonds5

About 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine

3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine (PubChem CID 114526736) has the molecular formula C10H21BrN2O and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
PubChem CID114526736
Molecular FormulaC10H21BrN2O
Molecular Weight265.19 g/mol
Exact Mass264.08
IUPAC Name3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCOCC1CBr
InChIInChI=1S/C10H21BrN2O/c1-12(2)4-3-5-13-6-7-14-9-10(13)8-11/h10H,3-9H2,1-2H3
InChIKeyKYDOMBFDWQNIEK-UHFFFAOYSA-N
XLogP1.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromopropyl)-3-ethylmorpholine
CID 61288372
4-(9-bromononyl)-3-ethylmorpholine
CID 105343626
3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 103015366
3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
CID 106731370
4-(3-chloropropyl)-3-ethylmorpholine
CID 61288570
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692
3,4-di(tridecyl)morpholine
CID 172742724
N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine
CID 107912675
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321
N-methyl-1-(4-octylmorpholin-3-yl)methanamine
CID 83099737
3-[2-(dimethylamino)ethyl]morpholine-4-carboxamide
CID 174486365
N-[3-(3-ethylmorpholin-4-yl)propyl]cyclopropanamine
CID 60867675

Frequently Asked Questions

What is the IUPAC name of 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine (CID 114526736) is 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCOCC1CBr.
What is the InChIKey of 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is KYDOMBFDWQNIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O/c1-12(2)4-3-5-13-6-7-14-9-10(13)8-11/h10H,3-9H2,1-2H3.
What are the key properties of 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine?
3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 265.19 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114526736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).