6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine

C12H26BrNO2 — CID 107844046

IUPAC6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
SMILESCOCCOCCCNCCCCCCBr
InChIInChI=1S/C12H26BrNO2/c1-15-11-12-16-10-6-9-14-8-5-3-2-4-7-13/h14H,2-12H2,1H3
InChIKeyJQZYGRCBSXEVTQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.58
Rot. Bonds13

About 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine

6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine (PubChem CID 107844046) has the molecular formula C12H26BrNO2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
PubChem CID107844046
Molecular FormulaC12H26BrNO2
Molecular Weight296.25 g/mol
Exact Mass295.11
IUPAC Name6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
SMILESCOCCOCCCNCCCCCCBr
InChIInChI=1S/C12H26BrNO2/c1-15-11-12-16-10-6-9-14-8-5-3-2-4-7-13/h14H,2-12H2,1H3
InChIKeyJQZYGRCBSXEVTQ-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
CID 107320355
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
1-bromo-10-(2-methoxyethoxymethoxy)decane
CID 53253255
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
4-bromo-N-(2-propoxyethyl)butan-1-amine
CID 106844739
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3-(2-methoxyethoxy)propyl]pentane-1,5-diamine
CID 158707795

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine?
The IUPAC name of 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine (CID 107844046) is 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine.
What is the SMILES notation for 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine?
The canonical SMILES for 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine is COCCOCCCNCCCCCCBr.
What is the InChIKey of 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine?
The InChIKey is JQZYGRCBSXEVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrNO2/c1-15-11-12-16-10-6-9-14-8-5-3-2-4-7-13/h14H,2-12H2,1H3.
What are the key properties of 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine?
6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 2.58, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine is sourced from PubChem (CID 107844046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).