N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride

C13H23ClN4O3 — CID 119610019

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCN1CC(=O)N(CC(=O)NC2CCCCC2CN)C1=O.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-16-8-12(19)17(13(16)20)7-11(18)15-10-5-3-2-4-9(10)6-14;/h9-10H,2-8,14H2,1H3,(H,15,18);1H
InChIKeyQPGUBYZHLPLQLN-UHFFFAOYSA-N
MW318.81 g/mol
LogP-0.06
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 119610019) has the molecular formula C13H23ClN4O3 and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID119610019
Molecular FormulaC13H23ClN4O3
Molecular Weight318.81 g/mol
Exact Mass318.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCN1CC(=O)N(CC(=O)NC2CCCCC2CN)C1=O.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-16-8-12(19)17(13(16)20)7-11(18)15-10-5-3-2-4-9(10)6-14;/h9-10H,2-8,14H2,1H3,(H,15,18);1H
InChIKeyQPGUBYZHLPLQLN-UHFFFAOYSA-N
XLogP-0.06
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64814335
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119609686
N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
CID 119605201
N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119609714
N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119611543
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride
CID 119610899
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119610481
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119603187
N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
CID 119601957

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride (CID 119610019) is N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride is CN1CC(=O)N(CC(=O)NC2CCCCC2CN)C1=O.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is QPGUBYZHLPLQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3.ClH/c1-16-8-12(19)17(13(16)20)7-11(18)15-10-5-3-2-4-9(10)6-14;/h9-10H,2-8,14H2,1H3,(H,15,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119610019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).