3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride

C12H23ClN2O2 — CID 119775453

IUPAC3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCCC(N)C1)C1CCOC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-14(11-5-6-16-8-11)12(15)9-3-2-4-10(13)7-9;/h9-11H,2-8,13H2,1H3;1H
InChIKeyYUAVAKLSCYYRFY-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.17
Rot. Bonds2

About 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119775453) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119775453
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCCC(N)C1)C1CCOC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-14(11-5-6-16-8-11)12(15)9-3-2-4-10(13)7-9;/h9-11H,2-8,13H2,1H3;1H
InChIKeyYUAVAKLSCYYRFY-UHFFFAOYSA-N
XLogP1.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(oxolan-3-yl)cyclopentane-1-carboxamide
CID 81489575
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119715175
3-amino-N-cyclopentyl-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119696942
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798090
3-amino-N-cyclooctyl-N-methylcyclopentane-1-carboxamide
CID 119763854
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide
CID 82738125
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119889661
3-amino-N-(4,4-dimethylcyclohexyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119791924
2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82732714
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119775453) is 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride is CN(C(=O)C1CCCC(N)C1)C1CCOC1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YUAVAKLSCYYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-14(11-5-6-16-8-11)12(15)9-3-2-4-10(13)7-9;/h9-11H,2-8,13H2,1H3;1H.
What are the key properties of 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119775453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).