methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate

C15H29NO2 — CID 79624157

IUPACmethyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate
SMILESCCCC1CCC(NCC(C)(C)C(=O)OC)CC1
InChIInChI=1S/C15H29NO2/c1-5-6-12-7-9-13(10-8-12)16-11-15(2,3)14(17)18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyPPZTXNLWIFJGEF-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate

methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate (PubChem CID 79624157) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate
PubChem CID79624157
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate
SMILESCCCC1CCC(NCC(C)(C)C(=O)OC)CC1
InChIInChI=1S/C15H29NO2/c1-5-6-12-7-9-13(10-8-12)16-11-15(2,3)14(17)18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyPPZTXNLWIFJGEF-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

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Related Compounds

3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
CID 62060186
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
N-tert-butyl-2-[(4-propylcyclohexyl)amino]acetamide
CID 60980793
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate
CID 79624900
methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
CID 103245661
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
butyl 2-[(4-propylcyclohexyl)amino]acetate
CID 54962947
2-[[(4-propylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103245657
2-[(4-propylcyclohexyl)amino]ethylurea
CID 83111793

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate (CID 79624157) is methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate is CCCC1CCC(NCC(C)(C)C(=O)OC)CC1.
What is the InChIKey of methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate?
The InChIKey is PPZTXNLWIFJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-6-12-7-9-13(10-8-12)16-11-15(2,3)14(17)18-4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate?
methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate 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 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate is sourced from PubChem (CID 79624157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).