4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid

C17H33NO2 — CID 21470550

IUPAC4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCCCCCCCCNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-13-18-14-15-9-11-16(12-10-15)17(19)20/h15-16,18H,2-14H2,1H3,(H,19,20)
InChIKeyCMRIHEHDGDFIGG-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.22
Rot. Bonds11

About 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid

4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 21470550) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID21470550
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCCCCCCCCNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-13-18-14-15-9-11-16(12-10-15)17(19)20/h15-16,18H,2-14H2,1H3,(H,19,20)
InChIKeyCMRIHEHDGDFIGG-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid (CID 21470550) is 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid is CCCCCCCCCNCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CMRIHEHDGDFIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-13-18-14-15-9-11-16(12-10-15)17(19)20/h15-16,18H,2-14H2,1H3,(H,19,20).
What are the key properties of 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.46 g/mol, XLogP of 4.22, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(nonylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 21470550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).