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

C13H27NO3 — CID 104560797

IUPACN-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
SMILESCCNC1CCCCC1OCCOCCOC
InChIInChI=1S/C13H27NO3/c1-3-14-12-6-4-5-7-13(12)17-11-10-16-9-8-15-2/h12-14H,3-11H2,1-2H3
InChIKeyFFTRQHSHVRRAQZ-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds9

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

N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine (PubChem CID 104560797) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
PubChem CID104560797
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
SMILESCCNC1CCCCC1OCCOCCOC
InChIInChI=1S/C13H27NO3/c1-3-14-12-6-4-5-7-13(12)17-11-10-16-9-8-15-2/h12-14H,3-11H2,1-2H3
InChIKeyFFTRQHSHVRRAQZ-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
CID 103401822
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
2-(2-cyclopropylethoxy)-N-ethylcyclododecan-1-amine
CID 106200788
2-(2-cyclopropylethoxy)-N-ethylcyclooctan-1-amine
CID 106200627
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine
CID 106200977
1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
CID 104565568
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
N-ethyl-2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954260
1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane
CID 114775120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine (CID 104560797) is N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine is CCNC1CCCCC1OCCOCCOC.
What is the InChIKey of N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine?
The InChIKey is FFTRQHSHVRRAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-14-12-6-4-5-7-13(12)17-11-10-16-9-8-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine?
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine is sourced from PubChem (CID 104560797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).