methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate

C14H27NO2 — CID 65084105

IUPACmethyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CCCC(C)(C)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)9-6-7-11(8-10-13)15-14(3,4)12(16)17-5/h11,15H,6-10H2,1-5H3
InChIKeyALVAMKRVMQCTAN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds3

About methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate

methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate (PubChem CID 65084105) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate
PubChem CID65084105
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CCCC(C)(C)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)9-6-7-11(8-10-13)15-14(3,4)12(16)17-5/h11,15H,6-10H2,1-5H3
InChIKeyALVAMKRVMQCTAN-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate (CID 65084105) is methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC1CCCC(C)(C)CC1.
What is the InChIKey of methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate?
The InChIKey is ALVAMKRVMQCTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)9-6-7-11(8-10-13)15-14(3,4)12(16)17-5/h11,15H,6-10H2,1-5H3.
What are the key properties of methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate?
methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate is sourced from PubChem (CID 65084105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).