4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid

C14H25NO3 — CID 115149138

IUPAC4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCC2CCOCC2)CC1
InChIInChI=1S/C14H25NO3/c16-14(17)12-1-3-13(4-2-12)15-8-5-11-6-9-18-10-7-11/h11-13,15H,1-10H2,(H,16,17)
InChIKeyKIJQUSGNUYBEGZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.04
Rot. Bonds5

About 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid

4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 115149138) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID115149138
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCC2CCOCC2)CC1
InChIInChI=1S/C14H25NO3/c16-14(17)12-1-3-13(4-2-12)15-8-5-11-6-9-18-10-7-11/h11-13,15H,1-10H2,(H,16,17)
InChIKeyKIJQUSGNUYBEGZ-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
CID 115149137
methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate
CID 115149309
4-(oxan-4-ylamino)cyclohexane-1-carboxylic acid
CID 63936456
4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one
CID 153338626
4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
CID 62386039
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
4-[3-(oxan-4-ylmethoxy)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122023417
tert-butyl 3-[2-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 167013141
2-(oxan-4-ylamino)ethylcarbamic acid
CID 68665690
2-(oxan-4-yl)ethylurea
CID 68798130
1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone
CID 113415221

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid (CID 115149138) is 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCC2CCOCC2)CC1.
What is the InChIKey of 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is KIJQUSGNUYBEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-14(17)12-1-3-13(4-2-12)15-8-5-11-6-9-18-10-7-11/h11-13,15H,1-10H2,(H,16,17).
What are the key properties of 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid?
4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115149138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).