3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide

C12H24N2O2 — CID 115895322

IUPAC3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide
SMILESCCOCCC1(CNC(C)CC(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-16-7-6-12(4-5-12)9-14-10(2)8-11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyBJGGNOPDVZWLEY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds9

About 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide

3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide (PubChem CID 115895322) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide.

Molecular Properties

Compound Name3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide
PubChem CID115895322
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide
SMILESCCOCCC1(CNC(C)CC(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-16-7-6-12(4-5-12)9-14-10(2)8-11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyBJGGNOPDVZWLEY-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

ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
3-(ethylamino)butanamide
CID 18792210
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119820336
3-(2-propoxyethylamino)butanamide
CID 106452583
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
CID 115894858
3-[(4-methyloxan-4-yl)methylamino]butanamide
CID 115893031
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119820293
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
3-(cyclobutylmethylamino)butanamide
CID 115676578

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide?
The IUPAC name of 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide (CID 115895322) is 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide.
What is the SMILES notation for 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide?
The canonical SMILES for 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide is CCOCCC1(CNC(C)CC(N)=O)CC1.
What is the InChIKey of 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide?
The InChIKey is BJGGNOPDVZWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-16-7-6-12(4-5-12)9-14-10(2)8-11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide?
3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide 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 3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide is sourced from PubChem (CID 115895322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).