N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride

C12H23ClN2O2 — CID 119600451

IUPACN-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)C1CCOCC1
InChIInChI=1S/C12H22N2O2.ClH/c13-8-10-2-1-3-11(10)14-12(15)9-4-6-16-7-5-9;/h9-11H,1-8,13H2,(H,14,15);1H
InChIKeyOPCFXKFKYOHZKZ-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.08
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride (PubChem CID 119600451) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
PubChem CID119600451
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)C1CCOCC1
InChIInChI=1S/C12H22N2O2.ClH/c13-8-10-2-1-3-11(10)14-12(15)9-4-6-16-7-5-9;/h9-11H,1-8,13H2,(H,14,15);1H
InChIKeyOPCFXKFKYOHZKZ-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-aminocycloheptyl)oxane-4-carboxamide
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CID 114240866
(2R)-N-[2-(aminomethyl)cyclopentyl]oxolane-2-carboxamide
CID 104856349
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CID 119611127
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
N-[2-(aminomethyl)cyclopentyl]-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119604175
N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119612379
N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119611954
N-[2-(aminomethyl)cyclopentyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
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N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide
CID 106366913
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CID 119610772

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride (CID 119600451) is N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)C1CCOCC1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is OPCFXKFKYOHZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c13-8-10-2-1-3-11(10)14-12(15)9-4-6-16-7-5-9;/h9-11H,1-8,13H2,(H,14,15);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 119600451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).