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

C13H26N2O2 — CID 107941610

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCCCC1CN
InChIInChI=1S/C13H26N2O2/c1-2-7-17-10-13(16)15-9-12-6-4-3-5-11(12)8-14/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyQMRFHJHBUGNHDK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds7

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

N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide (PubChem CID 107941610) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
PubChem CID107941610
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCCCC1CN
InChIInChI=1S/C13H26N2O2/c1-2-7-17-10-13(16)15-9-12-6-4-3-5-11(12)8-14/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyQMRFHJHBUGNHDK-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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-[[2-(aminomethyl)cyclopentyl]methyl]-2-(2-methoxyethoxy)acetamide
CID 114032046
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
CID 107941206
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
CID 107941165
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212934
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
CID 114307036
N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107941722
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917
2-(2-aminoethoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 115738383
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877154
N-(2-cyclobutylethyl)-2-propoxyacetamide
CID 103747320
N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107938590
N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
CID 114317286

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide (CID 107941610) is N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1CCCCC1CN.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide?
The InChIKey is QMRFHJHBUGNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-7-17-10-13(16)15-9-12-6-4-3-5-11(12)8-14/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide?
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide is sourced from PubChem (CID 107941610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).