N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid

C19H33NO4 — CID 174978699

IUPACN-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid
SMILESC1CCC(NC2CCCCC2)CC1.CCOC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H23N.C7H10O4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-11-6(10)7(3-4-7)5(8)9/h11-13H,1-10H2;2-4H2,1H3,(H,8,9)
InChIKeyFMQUOYLNOHSQRJ-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.66
Rot. Bonds5

About N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid

N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid (PubChem CID 174978699) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid
PubChem CID174978699
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC NameN-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid
SMILESC1CCC(NC2CCCCC2)CC1.CCOC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H23N.C7H10O4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-11-6(10)7(3-4-7)5(8)9/h11-13H,1-10H2;2-4H2,1H3,(H,8,9)
InChIKeyFMQUOYLNOHSQRJ-UHFFFAOYSA-N
XLogP3.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-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

ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 175632090
ethyl 4-(cyclopentylamino)oxane-4-carboxylate
CID 54892867
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
1-propoxycarbonylcyclobutane-1-carboxylic acid
CID 90449505
4-ethoxycarbonyl-1-[hydroxy(methyl)boranyl]piperidine-4-carboxylic acid
CID 59509497
ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
CID 65075658

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid?
The IUPAC name of N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid (CID 174978699) is N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid?
The canonical SMILES for N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid is C1CCC(NC2CCCCC2)CC1.CCOC(=O)C1(C(=O)O)CC1.
What is the InChIKey of N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid?
The InChIKey is FMQUOYLNOHSQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C7H10O4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-11-6(10)7(3-4-7)5(8)9/h11-13H,1-10H2;2-4H2,1H3,(H,8,9).
What are the key properties of N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid?
N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid has a molecular weight of 339.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 174978699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).