ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate

C17H29NO2 — CID 153401103

IUPACethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(C(NC(C)C)=C2CC2)CC1
InChIInChI=1S/C17H29NO2/c1-4-20-16(19)11-13-5-7-14(8-6-13)17(15-9-10-15)18-12(2)3/h12-14,18H,4-11H2,1-3H3
InChIKeyFANSFIBGAHIHJC-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.79
Rot. Bonds6

About ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate

ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate (PubChem CID 153401103) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate
PubChem CID153401103
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Nameethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(C(NC(C)C)=C2CC2)CC1
InChIInChI=1S/C17H29NO2/c1-4-20-16(19)11-13-5-7-14(8-6-13)17(15-9-10-15)18-12(2)3/h12-14,18H,4-11H2,1-3H3
InChIKeyFANSFIBGAHIHJC-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate 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 ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate (CID 153401103) is ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate is CCOC(=O)CC1CCC(C(NC(C)C)=C2CC2)CC1.
What is the InChIKey of ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate?
The InChIKey is FANSFIBGAHIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-20-16(19)11-13-5-7-14(8-6-13)17(15-9-10-15)18-12(2)3/h12-14,18H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate?
ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate has a molecular weight of 279.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[cyclopropylidene-(propan-2-ylamino)methyl]cyclohexyl]acetate is sourced from PubChem (CID 153401103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).