6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine

C13H28ClNO3 — CID 114008238

IUPAC6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
SMILESCOCCOCCOCCNCCCCCCCl
InChIInChI=1S/C13H28ClNO3/c1-16-10-11-18-13-12-17-9-8-15-7-5-3-2-4-6-14/h15H,2-13H2,1H3
InChIKeyBRGFBEGLUUCJIM-UHFFFAOYSA-N
MW281.82 g/mol
LogP2.05
Rot. Bonds15

About 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine

6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine (PubChem CID 114008238) has the molecular formula C13H28ClNO3 and a molecular weight of 281.82 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
PubChem CID114008238
Molecular FormulaC13H28ClNO3
Molecular Weight281.82 g/mol
Exact Mass281.18
IUPAC Name6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
SMILESCOCCOCCOCCNCCCCCCCl
InChIInChI=1S/C13H28ClNO3/c1-16-10-11-18-13-12-17-9-8-15-7-5-3-2-4-6-14/h15H,2-13H2,1H3
InChIKeyBRGFBEGLUUCJIM-UHFFFAOYSA-N
XLogP2.05
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.82
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151
N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
CID 104649724
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 81106817
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine?
The IUPAC name of 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine (CID 114008238) is 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine.
What is the SMILES notation for 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine?
The canonical SMILES for 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine is COCCOCCOCCNCCCCCCCl.
What is the InChIKey of 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine?
The InChIKey is BRGFBEGLUUCJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClNO3/c1-16-10-11-18-13-12-17-9-8-15-7-5-3-2-4-6-14/h15H,2-13H2,1H3.
What are the key properties of 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine?
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine has a molecular weight of 281.82 g/mol, XLogP of 2.05, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine is sourced from PubChem (CID 114008238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).