2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine

C14H28ClNO3 — CID 106365344

IUPAC2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
SMILESCOCCOCCOCCNC1CCCCC1CCl
InChIInChI=1S/C14H28ClNO3/c1-17-8-9-19-11-10-18-7-6-16-14-5-3-2-4-13(14)12-15/h13-14,16H,2-12H2,1H3
InChIKeyGQDVLNBRNKMRNG-UHFFFAOYSA-N
MW293.83 g/mol
LogP2.05
Rot. Bonds11

About 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine

2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine (PubChem CID 106365344) has the molecular formula C14H28ClNO3 and a molecular weight of 293.83 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
PubChem CID106365344
Molecular FormulaC14H28ClNO3
Molecular Weight293.83 g/mol
Exact Mass293.18
IUPAC Name2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
SMILESCOCCOCCOCCNC1CCCCC1CCl
InChIInChI=1S/C14H28ClNO3/c1-17-8-9-19-11-10-18-7-6-16-14-5-3-2-4-13(14)12-15/h13-14,16H,2-12H2,1H3
InChIKeyGQDVLNBRNKMRNG-UHFFFAOYSA-N
XLogP2.05
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.83
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

2-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 106365230
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 106365355
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylcycloheptan-1-amine
CID 104562465
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81328492
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
CID 106365073
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine
CID 103183994
2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
CID 106365146
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 106365311

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine (CID 106365344) is 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine is COCCOCCOCCNC1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine?
The InChIKey is GQDVLNBRNKMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO3/c1-17-8-9-19-11-10-18-7-6-16-14-5-3-2-4-13(14)12-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine?
2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine has a molecular weight of 293.83 g/mol, XLogP of 2.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106365344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).