3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid

C11H21NO2 — CID 43753997

IUPAC3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C11H21NO2/c1-3-7-12-11(10(13)14)6-4-5-9(2)8-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyFASFYMGYVIDOCL-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds4

About 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid

3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid (PubChem CID 43753997) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid
PubChem CID43753997
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C11H21NO2/c1-3-7-12-11(10(13)14)6-4-5-9(2)8-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyFASFYMGYVIDOCL-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid (CID 43753997) is 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FASFYMGYVIDOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-7-12-11(10(13)14)6-4-5-9(2)8-11/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid?
3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(propylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43753997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).