3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride

C10H21ClN2O — CID 174983357

IUPAC3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride
SMILESCC(C)CCNC(=O)C1(C)CNC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-8(2)4-5-12-9(13)10(3)6-11-7-10;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyWLGVYJXBDAMBMG-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.18
Rot. Bonds4

About 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride

3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride (PubChem CID 174983357) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride
PubChem CID174983357
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride
SMILESCC(C)CCNC(=O)C1(C)CNC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-8(2)4-5-12-9(13)10(3)6-11-7-10;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyWLGVYJXBDAMBMG-UHFFFAOYSA-N
XLogP1.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
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1,3-bis(3-methylbutyl)urea
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3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide
CID 55165905
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
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2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
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3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride (CID 174983357) is 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride is CC(C)CCNC(=O)C1(C)CNC1.Cl.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride?
The InChIKey is WLGVYJXBDAMBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-8(2)4-5-12-9(13)10(3)6-11-7-10;/h8,11H,4-7H2,1-3H3,(H,12,13);1H.
What are the key properties of 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride?
3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 174983357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).