4-(2-bromohexyl)morpholine

C10H20BrNO — CID 19907055

IUPAC4-(2-bromohexyl)morpholine
SMILESCCCCC(Br)CN1CCOCC1
InChIInChI=1S/C10H20BrNO/c1-2-3-4-10(11)9-12-5-7-13-8-6-12/h10H,2-9H2,1H3
InChIKeyXNUUQKCPAHZUGA-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds5

About 4-(2-bromohexyl)morpholine

4-(2-bromohexyl)morpholine (PubChem CID 19907055) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 4-(2-bromohexyl)morpholine.

Molecular Properties

Compound Name4-(2-bromohexyl)morpholine
PubChem CID19907055
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name4-(2-bromohexyl)morpholine
SMILESCCCCC(Br)CN1CCOCC1
InChIInChI=1S/C10H20BrNO/c1-2-3-4-10(11)9-12-5-7-13-8-6-12/h10H,2-9H2,1H3
InChIKeyXNUUQKCPAHZUGA-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-ylhexan-2-amine
CID 60852253
butane;4-(2-methylpropyl)morpholine
CID 155751822
1-morpholin-4-ylheptan-2-ol
CID 15312312
N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675929
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
4-[(2S)-hexan-2-yl]morpholine
CID 124506548
1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
ethane;1-methoxybutane;4-(2-methylpropyl)morpholine
CID 163400303
4-(4-methylnonyl)morpholine
CID 170444016
ethane;4-(2-methylbutyl)morpholine
CID 142525427
butane;4-butylmorpholine
CID 177152600
4-hexylmorpholine
CID 3614751

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromohexyl)morpholine?
The IUPAC name of 4-(2-bromohexyl)morpholine (CID 19907055) is 4-(2-bromohexyl)morpholine.
What is the SMILES notation for 4-(2-bromohexyl)morpholine?
The canonical SMILES for 4-(2-bromohexyl)morpholine is CCCCC(Br)CN1CCOCC1.
What is the InChIKey of 4-(2-bromohexyl)morpholine?
The InChIKey is XNUUQKCPAHZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-2-3-4-10(11)9-12-5-7-13-8-6-12/h10H,2-9H2,1H3.
What are the key properties of 4-(2-bromohexyl)morpholine?
4-(2-bromohexyl)morpholine has a molecular weight of 250.18 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromohexyl)morpholine is sourced from PubChem (CID 19907055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).