N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride

C12H25ClN2O3 — CID 119404560

IUPACN-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
SMILESCOCCOCC(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-16-7-8-17-9-11(15)14-10-12(13)5-3-2-4-6-12;/h2-10,13H2,1H3,(H,14,15);1H
InChIKeyJLMGSNCCNIUVLP-UHFFFAOYSA-N
MW280.80 g/mol
LogP0.85
Rot. Bonds7

About N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride (PubChem CID 119404560) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
PubChem CID119404560
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
SMILESCOCCOCC(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-16-7-8-17-9-11(15)14-10-12(13)5-3-2-4-6-12;/h2-10,13H2,1H3,(H,14,15);1H
InChIKeyJLMGSNCCNIUVLP-UHFFFAOYSA-N
XLogP0.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81361985
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyacetamide;hydrochloride
CID 119404526
N-[(1-aminocyclopropyl)methyl]-2-methoxyacetamide
CID 165463023
2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
CID 64572066
2-(2-methoxyethoxy)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722075
N-[(1-methoxycyclobutyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 103993337
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyacetamide
CID 119404527
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
2-(1-aminocyclopentyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 64679664
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
N-[(1-aminocyclohexyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119404276

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride (CID 119404560) is N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride is COCCOCC(=O)NCC1(N)CCCCC1.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The InChIKey is JLMGSNCCNIUVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-16-7-8-17-9-11(15)14-10-12(13)5-3-2-4-6-12;/h2-10,13H2,1H3,(H,14,15);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride is sourced from PubChem (CID 119404560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).