ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate

C16H28N2O2 — CID 62981321

IUPACethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C16H28N2O2/c1-2-20-16(19)12-3-5-13(6-4-12)17-14-9-10-18(11-14)15-7-8-15/h12-15,17H,2-11H2,1H3
InChIKeyDEHYXHARKJNPSI-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds5

About ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate

ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate (PubChem CID 62981321) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
PubChem CID62981321
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C16H28N2O2/c1-2-20-16(19)12-3-5-13(6-4-12)17-14-9-10-18(11-14)15-7-8-15/h12-15,17H,2-11H2,1H3
InChIKeyDEHYXHARKJNPSI-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-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

Related Compounds

ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 60933460
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 60934435
ethyl 4-(oxan-4-ylamino)cyclohexane-1-carboxylate
CID 54866933
cyclopropyl-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone
CID 62981831
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate (CID 62981321) is ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC2CCN(C3CC3)C2)CC1.
What is the InChIKey of ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is DEHYXHARKJNPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-20-16(19)12-3-5-13(6-4-12)17-14-9-10-18(11-14)15-7-8-15/h12-15,17H,2-11H2,1H3.
What are the key properties of ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 280.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 62981321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).