methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate

C14H28N2O2 — CID 106663369

IUPACmethyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCCN(C)C)CC(C)(C)CC1C
InChIInChI=1S/C14H28N2O2/c1-11-9-13(2,3)10-14(11,12(17)18-6)15-7-8-16(4)5/h11,15H,7-10H2,1-6H3
InChIKeyOVMIQANEVKMJFT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds5

About methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate

methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate (PubChem CID 106663369) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate
PubChem CID106663369
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCCN(C)C)CC(C)(C)CC1C
InChIInChI=1S/C14H28N2O2/c1-11-9-13(2,3)10-14(11,12(17)18-6)15-7-8-16(4)5/h11,15H,7-10H2,1-6H3
InChIKeyOVMIQANEVKMJFT-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate (CID 106663369) is methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate is COC(=O)C1(NCCN(C)C)CC(C)(C)CC1C.
What is the InChIKey of methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate?
The InChIKey is OVMIQANEVKMJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-9-13(2,3)10-14(11,12(17)18-6)15-7-8-16(4)5/h11,15H,7-10H2,1-6H3.
What are the key properties of methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate?
methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 106663369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).