methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate

C15H29NO2 — CID 107450553

IUPACmethyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OC)CCCC(C(C)C)C1
InChIInChI=1S/C15H29NO2/c1-5-9-16-15(11-14(17)18-4)8-6-7-13(10-15)12(2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyJGOVCHHXDTUWTJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate

methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate (PubChem CID 107450553) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
PubChem CID107450553
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OC)CCCC(C(C)C)C1
InChIInChI=1S/C15H29NO2/c1-5-9-16-15(11-14(17)18-4)8-6-7-13(10-15)12(2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyJGOVCHHXDTUWTJ-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[3-propan-2-yl-1-(propylamino)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

Related Compounds

1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
CID 107449080
ethyl 2-[4-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 65235883
methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824514
methyl 2-[1-(ethylamino)-3-(2-methylpropyl)cyclohexyl]acetate
CID 107430508
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590
4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
CID 65088722
2-[3-methyl-1-(propylamino)cyclohexyl]acetamide
CID 65236102
methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate
CID 114079466
methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
CID 65236117
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
methyl 2-(1-hydroxy-3-propan-2-ylcyclohexyl)butanoate
CID 107450367

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate?
The IUPAC name of methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate (CID 107450553) is methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate?
The canonical SMILES for methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate is CCCNC1(CC(=O)OC)CCCC(C(C)C)C1.
What is the InChIKey of methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate?
The InChIKey is JGOVCHHXDTUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-9-16-15(11-14(17)18-4)8-6-7-13(10-15)12(2)3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate?
methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate is sourced from PubChem (CID 107450553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).