methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate

C18H33NO2 — CID 65094509

IUPACmethyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate
SMILESCOC(=O)C1(NC2CCCC2)CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-17(2,3)14-8-7-12-18(13-11-14,16(20)21-4)19-15-9-5-6-10-15/h14-15,19H,5-13H2,1-4H3
InChIKeyUVZNLWPXALWVRI-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.06
Rot. Bonds3

About methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate

methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate (PubChem CID 65094509) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate
PubChem CID65094509
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Namemethyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate
SMILESCOC(=O)C1(NC2CCCC2)CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-17(2,3)14-8-7-12-18(13-11-14,16(20)21-4)19-15-9-5-6-10-15/h14-15,19H,5-13H2,1-4H3
InChIKeyUVZNLWPXALWVRI-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate?
The IUPAC name of methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate (CID 65094509) is methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate?
The canonical SMILES for methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate is COC(=O)C1(NC2CCCC2)CCCC(C(C)(C)C)CC1.
What is the InChIKey of methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate?
The InChIKey is UVZNLWPXALWVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-17(2,3)14-8-7-12-18(13-11-14,16(20)21-4)19-15-9-5-6-10-15/h14-15,19H,5-13H2,1-4H3.
What are the key properties of methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate?
methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate is sourced from PubChem (CID 65094509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).