N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide

C13H24N2O2 — CID 79750899

IUPACN-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C13H24N2O2/c1-9-12(7-8-17-9)13(16)15(2)11-5-3-10(14)4-6-11/h9-12H,3-8,14H2,1-2H3
InChIKeyWTEFZRZBAGSWKR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds2

About N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide

N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide (PubChem CID 79750899) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide
PubChem CID79750899
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C13H24N2O2/c1-9-12(7-8-17-9)13(16)15(2)11-5-3-10(14)4-6-11/h9-12H,3-8,14H2,1-2H3
InChIKeyWTEFZRZBAGSWKR-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2-dimethyloxolane-3-carboxamide
CID 79757850
4-amino-N,2-dimethyl-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82754385
N-cyclopropyl-2-methyl-N-(piperidin-4-ylmethyl)oxolane-3-carboxamide
CID 79763683
2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750680
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
CID 79758470
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
1-[(2S,3R)-2-methyloxolan-3-yl]ethanone
CID 102014015
cis-(1S,2R)-2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311623
5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62781149
methyl 2-methyl-3-[methyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79763237
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide
CID 79763533
4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
CID 79750382

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide (CID 79750899) is N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide is CC1OCCC1C(=O)N(C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide?
The InChIKey is WTEFZRZBAGSWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-12(7-8-17-9)13(16)15(2)11-5-3-10(14)4-6-11/h9-12H,3-8,14H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide?
N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 79750899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).