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

C13H24N2O3 — CID 115294821

IUPAC4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
SMILESNC1(C(=O)NC2(CO)CCCCC2)CCOCC1
InChIInChI=1S/C13H24N2O3/c14-13(6-8-18-9-7-13)11(17)15-12(10-16)4-2-1-3-5-12/h16H,1-10,14H2,(H,15,17)
InChIKeyCFBKTPOXQVDLIK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.31
Rot. Bonds3

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

4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide (PubChem CID 115294821) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
PubChem CID115294821
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
SMILESNC1(C(=O)NC2(CO)CCCCC2)CCOCC1
InChIInChI=1S/C13H24N2O3/c14-13(6-8-18-9-7-13)11(17)15-12(10-16)4-2-1-3-5-12/h16H,1-10,14H2,(H,15,17)
InChIKeyCFBKTPOXQVDLIK-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide
CID 113280753
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
CID 106298704
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439913
4-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methyloxolane-3-carboxamide
CID 66263746
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64892980
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylthiolane-2-carboxamide
CID 106298135
1-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63706981
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62553033
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide (CID 115294821) is 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide is NC1(C(=O)NC2(CO)CCCCC2)CCOCC1.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide?
The InChIKey is CFBKTPOXQVDLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c14-13(6-8-18-9-7-13)11(17)15-12(10-16)4-2-1-3-5-12/h16H,1-10,14H2,(H,15,17).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide?
4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.31, 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]oxane-4-carboxamide is sourced from PubChem (CID 115294821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).