4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide

C13H24N2O2 — CID 66237085

IUPAC4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide
SMILESCC1CCCCC1CNC(=O)C1COCC1N
InChIInChI=1S/C13H24N2O2/c1-9-4-2-3-5-10(9)6-15-13(16)11-7-17-8-12(11)14/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyZTDIDBPNFYOKLP-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.90
Rot. Bonds3

About 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide

4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide (PubChem CID 66237085) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide
PubChem CID66237085
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide
SMILESCC1CCCCC1CNC(=O)C1COCC1N
InChIInChI=1S/C13H24N2O2/c1-9-4-2-3-5-10(9)6-15-13(16)11-7-17-8-12(11)14/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyZTDIDBPNFYOKLP-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 66235488
4-amino-2-methyl-N-[(2-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 55116865
N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide
CID 114241768
N-[(2-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 107418568
N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
(2-methylcyclopentyl)methylurea
CID 107417745
2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 107416685
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
4-amino-N-[2-(3-methylcyclohexyl)ethyl]oxolane-3-carboxamide
CID 66237509
4-amino-N-cycloheptyloxolane-3-carboxamide
CID 66240800
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
CID 66241397

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide (CID 66237085) is 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide is CC1CCCCC1CNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide?
The InChIKey is ZTDIDBPNFYOKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-4-2-3-5-10(9)6-15-13(16)11-7-17-8-12(11)14/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide?
4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66237085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).