N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride

C12H25ClN2O2 — CID 119498511

IUPACN-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOCCC1(C(=O)NCCC(C)N)CCC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-10(13)4-8-14-11(15)12(5-3-6-12)7-9-16-2;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeyMFRGXKBPIJCSEU-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.47
Rot. Bonds7

About N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride

N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 119498511) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID119498511
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC NameN-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOCCC1(C(=O)NCCC(C)N)CCC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-10(13)4-8-14-11(15)12(5-3-6-12)7-9-16-2;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeyMFRGXKBPIJCSEU-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119384705
N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119497906
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119629491
N-[(2R)-2-(ethylamino)propyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 120654180
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 119629492
1-(2-methoxyethyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120832578
N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 119620918
3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
CID 120515250
1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513563
N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119498989
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide
CID 119513564

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride (CID 119498511) is N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride is COCCC1(C(=O)NCCC(C)N)CCC1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is MFRGXKBPIJCSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-10(13)4-8-14-11(15)12(5-3-6-12)7-9-16-2;/h10H,3-9,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119498511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).