4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide

C13H24N2O3 — CID 66263746

IUPAC4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NC2(CO)CCCCC2)COCC1N
InChIInChI=1S/C13H24N2O3/c1-12(9-18-7-10(12)14)11(17)15-13(8-16)5-3-2-4-6-13/h10,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyKAOXKCNSTAEQMH-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.16
Rot. Bonds3

About 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide

4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide (PubChem CID 66263746) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide
PubChem CID66263746
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NC2(CO)CCCCC2)COCC1N
InChIInChI=1S/C13H24N2O3/c1-12(9-18-7-10(12)14)11(17)15-13(8-16)5-3-2-4-6-13/h10,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyKAOXKCNSTAEQMH-UHFFFAOYSA-N
XLogP0.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide (CID 66263746) is 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide is CC1(C(=O)NC2(CO)CCCCC2)COCC1N.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide?
The InChIKey is KAOXKCNSTAEQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(9-18-7-10(12)14)11(17)15-13(8-16)5-3-2-4-6-13/h10,16H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66263746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).