1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine

C15H30ClNO3 — CID 104567212

IUPAC1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine
SMILESCOCCOCCOCCNC1(CCl)CCC(C)CC1
InChIInChI=1S/C15H30ClNO3/c1-14-3-5-15(13-16,6-4-14)17-7-8-19-11-12-20-10-9-18-2/h14,17H,3-13H2,1-2H3
InChIKeyFNZNPQXVSAPKGR-UHFFFAOYSA-N
MW307.86 g/mol
LogP2.44
Rot. Bonds11

About 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine

1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine (PubChem CID 104567212) has the molecular formula C15H30ClNO3 and a molecular weight of 307.86 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine
PubChem CID104567212
Molecular FormulaC15H30ClNO3
Molecular Weight307.86 g/mol
Exact Mass307.19
IUPAC Name1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine
SMILESCOCCOCCOCCNC1(CCl)CCC(C)CC1
InChIInChI=1S/C15H30ClNO3/c1-14-3-5-15(13-16,6-4-14)17-7-8-19-11-12-20-10-9-18-2/h14,17H,3-13H2,1-2H3
InChIKeyFNZNPQXVSAPKGR-UHFFFAOYSA-N
XLogP2.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine (CID 104567212) is 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine is COCCOCCOCCNC1(CCl)CCC(C)CC1.
What is the InChIKey of 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is FNZNPQXVSAPKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO3/c1-14-3-5-15(13-16,6-4-14)17-7-8-19-11-12-20-10-9-18-2/h14,17H,3-13H2,1-2H3.
What are the key properties of 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine?
1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 307.86 g/mol, XLogP of 2.44, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 104567212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).