N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide

C13H26N2O2 — CID 106123778

IUPACN-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-2-7-17-8-6-13(16)15-10-11-4-3-5-12(14)9-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyCJUXBRVCYCKXSI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds7

About N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide

N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide (PubChem CID 106123778) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide
PubChem CID106123778
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-2-7-17-8-6-13(16)15-10-11-4-3-5-12(14)9-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyCJUXBRVCYCKXSI-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-[(3-aminocyclononyl)methyl]-3-[2-[2-[2-[2-(4-aminopiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 167279470
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106123823
3-(3-aminocyclohexyl)oxy-N-ethylpropanamide
CID 79464664
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
CID 64927440
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123178
2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
CID 62783140
N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide
CID 123690704

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide (CID 106123778) is N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide is CCCOCCC(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide?
The InChIKey is CJUXBRVCYCKXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-7-17-8-6-13(16)15-10-11-4-3-5-12(14)9-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide?
N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide 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-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide is sourced from PubChem (CID 106123778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).