N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide

C12H24N2O2 — CID 114758885

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)NCC1(CCN)CC1
InChIInChI=1S/C12H24N2O2/c1-2-16-9-3-4-11(15)14-10-12(5-6-12)7-8-13/h2-10,13H2,1H3,(H,14,15)
InChIKeyQCKGMLQBGMQILM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds9

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide (PubChem CID 114758885) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide
PubChem CID114758885
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)NCC1(CCN)CC1
InChIInChI=1S/C12H24N2O2/c1-2-16-9-3-4-11(15)14-10-12(5-6-12)7-8-13/h2-10,13H2,1H3,(H,14,15)
InChIKeyQCKGMLQBGMQILM-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
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

4-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]butanamide;hydrochloride
CID 119339921
6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide
CID 114756702
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 103796646
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
CID 114758855
4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302079
2-ethoxy-N-[(1-propylcyclopropyl)methyl]acetamide
CID 103762292
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-cyclobutylacetamide
CID 103167045
6-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylhexanamide
CID 114112929
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114758920
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide (CID 114758885) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide is CCOCCCC(=O)NCC1(CCN)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide?
The InChIKey is QCKGMLQBGMQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-16-9-3-4-11(15)14-10-12(5-6-12)7-8-13/h2-10,13H2,1H3,(H,14,15).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide is sourced from PubChem (CID 114758885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).