N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride

C11H23ClN2O3 — CID 119260774

IUPACN-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1COCCO1.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-3-11(4-2,8-12)13-10(14)9-7-15-5-6-16-9;/h9H,3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyCFBYQOYGOFNPEO-UHFFFAOYSA-N
MW266.77 g/mol
LogP0.46
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride (PubChem CID 119260774) has the molecular formula C11H23ClN2O3 and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride
PubChem CID119260774
Molecular FormulaC11H23ClN2O3
Molecular Weight266.77 g/mol
Exact Mass266.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1COCCO1.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-3-11(4-2,8-12)13-10(14)9-7-15-5-6-16-9;/h9H,3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyCFBYQOYGOFNPEO-UHFFFAOYSA-N
XLogP0.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
CID 63766692
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
(2R)-2-(4-chlorophenyl)-2-[[(2S)-1,4-dioxane-2-carbonyl]amino]butanoic acid
CID 125118753
(2S)-2-(4-chlorophenyl)-2-[[(2R)-1,4-dioxane-2-carbonyl]amino]butanoic acid
CID 125118751
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
CID 103890903
N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide
CID 119570738
N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106356890
N-(2-aminobutyl)-1,4-dioxane-2-carboxamide
CID 63733447
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849
N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160193

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride (CID 119260774) is N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1COCCO1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride?
The InChIKey is CFBYQOYGOFNPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.ClH/c1-3-11(4-2,8-12)13-10(14)9-7-15-5-6-16-9;/h9H,3-8,12H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119260774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).