N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide

C13H26N2O2 — CID 62588970

IUPACN-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide
SMILESCCOCCC(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C13H26N2O2/c1-2-17-11-8-13(16)15(10-5-9-14)12-6-3-4-7-12/h12H,2-11,14H2,1H3
InChIKeyXRTNSTFJLVBHKX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds8

About N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide

N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide (PubChem CID 62588970) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide
PubChem CID62588970
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide
SMILESCCOCCC(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C13H26N2O2/c1-2-17-11-8-13(16)15(10-5-9-14)12-6-3-4-7-12/h12H,2-11,14H2,1H3
InChIKeyXRTNSTFJLVBHKX-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
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-aminopropyl)-N-cyclopropyl-3-ethoxypropanamide
CID 62588782
N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide
CID 62688230
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide
CID 43319420
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide
CID 43319428
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)pentanamide
CID 102861717
N-(3-aminopropyl)-N-cyclohexyl-2-methylbutanamide
CID 43136859

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide (CID 62588970) is N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide is CCOCCC(=O)N(CCCN)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide?
The InChIKey is XRTNSTFJLVBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-17-11-8-13(16)15(10-5-9-14)12-6-3-4-7-12/h12H,2-11,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide?
N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide is sourced from PubChem (CID 62588970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).