1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid

C13H26N2O2 — CID 65045444

IUPAC1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCCC1C
InChIInChI=1S/C13H26N2O2/c1-4-15(5-2)10-9-14-13(12(16)17)8-6-7-11(13)3/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeySHAQTVZXVUJMKQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.56
Rot. Bonds7

About 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid

1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid (PubChem CID 65045444) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
PubChem CID65045444
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCCC1C
InChIInChI=1S/C13H26N2O2/c1-4-15(5-2)10-9-14-13(12(16)17)8-6-7-11(13)3/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeySHAQTVZXVUJMKQ-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid (CID 65045444) is 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid is CCN(CC)CCNC1(C(=O)O)CCCC1C.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid?
The InChIKey is SHAQTVZXVUJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(5-2)10-9-14-13(12(16)17)8-6-7-11(13)3/h11,14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid?
1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 65045444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).