N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine

C13H28N2O2 — CID 107094281

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
SMILESCOC1CCC(NCCOCCN(C)C)CC1
InChIInChI=1S/C13H28N2O2/c1-15(2)9-11-17-10-8-14-12-4-6-13(16-3)7-5-12/h12-14H,4-11H2,1-3H3
InChIKeyOWPKETGHBZSLPM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine (PubChem CID 107094281) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
PubChem CID107094281
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
SMILESCOC1CCC(NCCOCCN(C)C)CC1
InChIInChI=1S/C13H28N2O2/c1-15(2)9-11-17-10-8-14-12-4-6-13(16-3)7-5-12/h12-14H,4-11H2,1-3H3
InChIKeyOWPKETGHBZSLPM-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
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

N-[2-(cyclopropylmethoxy)ethyl]-4-methoxycyclohexan-1-amine
CID 104530185
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 103096650
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 107094063
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
CID 107094111
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459470
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 113357739
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine (CID 107094281) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine is COC1CCC(NCCOCCN(C)C)CC1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine?
The InChIKey is OWPKETGHBZSLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-15(2)9-11-17-10-8-14-12-4-6-13(16-3)7-5-12/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 107094281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).