1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid

C15H29NO4 — CID 79637327

IUPAC1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC(OCCOC(C)C)C1
InChIInChI=1S/C15H29NO4/c1-11(2)16-15(14(17)18)7-5-6-13(10-15)20-9-8-19-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,18)
InChIKeyMCKHJUVAIYNMLE-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.19
Rot. Bonds8

About 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid

1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid (PubChem CID 79637327) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
PubChem CID79637327
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC(OCCOC(C)C)C1
InChIInChI=1S/C15H29NO4/c1-11(2)16-15(14(17)18)7-5-6-13(10-15)20-9-8-19-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,18)
InChIKeyMCKHJUVAIYNMLE-UHFFFAOYSA-N
XLogP2.19
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637773
3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 82005503
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 106204251
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol
CID 79640661
1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid
CID 79649444
3-(3-methylcyclohexyl)oxy-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634611
methyl 3-(2-cyclobutylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 106204585
1-(cyclopropylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79649443

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid (CID 79637327) is 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCCC(OCCOC(C)C)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is MCKHJUVAIYNMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-11(2)16-15(14(17)18)7-5-6-13(10-15)20-9-8-19-12(3)4/h11-13,16H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid?
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79637327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).