N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide

C13H26N2O2 — CID 107941625

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-2-8-17-9-12(16)15-11-13(10-14)6-4-3-5-7-13/h2-11,14H2,1H3,(H,15,16)
InChIKeyNJSGDVDWKYDOPT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds7

About N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide (PubChem CID 107941625) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
PubChem CID107941625
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-2-8-17-9-12(16)15-11-13(10-14)6-4-3-5-7-13/h2-11,14H2,1H3,(H,15,16)
InChIKeyNJSGDVDWKYDOPT-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212976
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide
CID 107299396
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-propan-2-yloxyacetamide
CID 112604289
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604290
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119404560
2-ethoxy-N-[(1-propylcyclopropyl)methyl]acetamide
CID 103762292
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 103627584
N-(1-carbamothioylcyclohexyl)-2-propoxyacetamide
CID 107938915

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide (CID 107941625) is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1(CN)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide?
The InChIKey is NJSGDVDWKYDOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-8-17-9-12(16)15-11-13(10-14)6-4-3-5-7-13/h2-11,14H2,1H3,(H,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide is sourced from PubChem (CID 107941625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).