4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide

C13H24N2O3 — CID 106101708

IUPAC4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H24N2O3/c1-9-13(17,6-7-18-9)8-15-12(16)10-2-4-11(14)5-3-10/h9-11,17H,2-8,14H2,1H3,(H,15,16)
InChIKeyWKPXJUBVWWAQOS-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.16
Rot. Bonds3

About 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide

4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 106101708) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID106101708
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H24N2O3/c1-9-13(17,6-7-18-9)8-15-12(16)10-2-4-11(14)5-3-10/h9-11,17H,2-8,14H2,1H3,(H,15,16)
InChIKeyWKPXJUBVWWAQOS-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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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
5-[(3-hydroxy-2-methyloxolan-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106099783
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101785
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101649
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide (CID 106101708) is 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide is CC1OCCC1(O)CNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is WKPXJUBVWWAQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-13(17,6-7-18-9)8-15-12(16)10-2-4-11(14)5-3-10/h9-11,17H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-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-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106101708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).