2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid

C13H25NO3 — CID 103253670

IUPAC2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid
SMILESCCCCC(NCC1(O)CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-2-3-7-11(12(15)16)14-10-13(17)8-5-4-6-9-13/h11,14,17H,2-10H2,1H3,(H,15,16)
InChIKeyPAGLSOZWPYISPV-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.91
Rot. Bonds7

About 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid

2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid (PubChem CID 103253670) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid
PubChem CID103253670
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid
SMILESCCCCC(NCC1(O)CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-2-3-7-11(12(15)16)14-10-13(17)8-5-4-6-9-13/h11,14,17H,2-10H2,1H3,(H,15,16)
InChIKeyPAGLSOZWPYISPV-UHFFFAOYSA-N
XLogP1.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
2-[(2-methylthiolan-2-yl)methylamino]hexanoic acid
CID 103259903
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]hexanoate
CID 103257015
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]hexanoic acid
CID 106102621
2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
CID 103268359
2-(spiro[3.5]nonan-2-ylamino)hexanoic acid
CID 122124242
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 65121052
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
2-[(1-hydroxycyclopentyl)methylamino]-N-pentylpropanamide
CID 65109318
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
2-(1-carboxypentylamino)hexanoic acid
CID 22643835

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid (CID 103253670) is 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid is CCCCC(NCC1(O)CCCCC1)C(=O)O.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid?
The InChIKey is PAGLSOZWPYISPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-3-7-11(12(15)16)14-10-13(17)8-5-4-6-9-13/h11,14,17H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid?
2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid is sourced from PubChem (CID 103253670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).