N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride

C13H27ClN2O — CID 119430611

IUPACN-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1(CC(C)C)CCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11(2)10-13(6-4-7-13)12(16)15-9-5-8-14-3;/h11,14H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyMTHWNISHCGWVBK-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.35
Rot. Bonds7

About N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride

N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 119430611) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID119430611
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1(CC(C)C)CCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11(2)10-13(6-4-7-13)12(16)15-9-5-8-14-3;/h11,14H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyMTHWNISHCGWVBK-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660
N-(5-iodopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107322176
1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 119391627
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 81172040
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-(2-methylpropyl)-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide
CID 114793919
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 104857707
1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 99577260

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride (CID 119430611) is N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride is CNCCCNC(=O)C1(CC(C)C)CCC1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is MTHWNISHCGWVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-11(2)10-13(6-4-7-13)12(16)15-9-5-8-14-3;/h11,14H,4-10H2,1-3H3,(H,15,16);1H.
What are the key properties of N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119430611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).