2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine

C13H27NO2 — CID 103181114

IUPAC2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CCOCCCOC
InChIInChI=1S/C13H27NO2/c1-14-13-7-4-3-6-12(13)8-11-16-10-5-9-15-2/h12-14H,3-11H2,1-2H3
InChIKeyOEYTVMOPKYSWPA-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds8

About 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine

2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine (PubChem CID 103181114) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine
PubChem CID103181114
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CCOCCCOC
InChIInChI=1S/C13H27NO2/c1-14-13-7-4-3-6-12(13)8-11-16-10-5-9-15-2/h12-14H,3-11H2,1-2H3
InChIKeyOEYTVMOPKYSWPA-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61382219
2-(4-methoxybutyl)-N-methylcyclohexan-1-amine
CID 104648337
N-ethyl-2-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]cyclopentan-1-amine
CID 103177135
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
N-methyl-2-(4-methylpentyl)cyclohexan-1-amine
CID 83159039
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 62616551
1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine
CID 83196605
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine
CID 113427227
3-(3-methoxypropyl)-N-methyloxan-4-amine
CID 106469107
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine
CID 79572805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine (CID 103181114) is 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1CCOCCCOC.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is OEYTVMOPKYSWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-14-13-7-4-3-6-12(13)8-11-16-10-5-9-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine?
2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 103181114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).