3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride

C13H27ClN2O2 — CID 119820336

IUPAC3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
SMILESCCOCCC1(CNC(=O)CC(C)N)CCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-17-8-7-13(5-4-6-13)10-15-12(16)9-11(2)14;/h11H,3-10,14H2,1-2H3,(H,15,16);1H
InChIKeyHZGFKQCDJDRJIY-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.86
Rot. Bonds8

About 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride

3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride (PubChem CID 119820336) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
PubChem CID119820336
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
SMILESCCOCCC1(CNC(=O)CC(C)N)CCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-17-8-7-13(5-4-6-13)10-15-12(16)9-11(2)14;/h11H,3-10,14H2,1-2H3,(H,15,16);1H
InChIKeyHZGFKQCDJDRJIY-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.86
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

3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide
CID 119820393
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119812179
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820324
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119820293
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide
CID 119812192
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 119344511
2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpentanamide;hydrochloride
CID 119820346
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride (CID 119820336) is 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride is CCOCCC1(CNC(=O)CC(C)N)CCC1.Cl.
What is the InChIKey of 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride?
The InChIKey is HZGFKQCDJDRJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-3-17-8-7-13(5-4-6-13)10-15-12(16)9-11(2)14;/h11H,3-10,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride?
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119820336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).