2-(cyclohexylamino)heptanoic acid

C13H25NO2 — CID 60998800

IUPAC2-(cyclohexylamino)heptanoic acid
SMILESCCCCCC(NC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-2-3-5-10-12(13(15)16)14-11-8-6-4-7-9-11/h11-12,14H,2-10H2,1H3,(H,15,16)
InChIKeyMJEOMIFLQWTKOU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.94
Rot. Bonds7

About 2-(cyclohexylamino)heptanoic acid

2-(cyclohexylamino)heptanoic acid (PubChem CID 60998800) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)heptanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)heptanoic acid
PubChem CID60998800
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(cyclohexylamino)heptanoic acid
SMILESCCCCCC(NC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-2-3-5-10-12(13(15)16)14-11-8-6-4-7-9-11/h11-12,14H,2-10H2,1H3,(H,15,16)
InChIKeyMJEOMIFLQWTKOU-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.94
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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Related Compounds

2-(cyclopropylamino)heptanoic acid
CID 43754511
2-(cyclohexylamino)octanamide
CID 54893908
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
(2R)-2-(piperidin-3-ylamino)decanoic acid
CID 160838910
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734
2-(cyclopentylamino)butanoic acid
CID 60998249
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
CID 103259393
2-(spiro[3.5]nonan-2-ylamino)hexanoic acid
CID 122124242
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)heptanoic acid?
The IUPAC name of 2-(cyclohexylamino)heptanoic acid (CID 60998800) is 2-(cyclohexylamino)heptanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)heptanoic acid?
The canonical SMILES for 2-(cyclohexylamino)heptanoic acid is CCCCCC(NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylamino)heptanoic acid?
The InChIKey is MJEOMIFLQWTKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-5-10-12(13(15)16)14-11-8-6-4-7-9-11/h11-12,14H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-(cyclohexylamino)heptanoic acid?
2-(cyclohexylamino)heptanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)heptanoic acid is sourced from PubChem (CID 60998800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).