1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid

C15H30N2O2 — CID 64754341

IUPAC1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CC(C)CCC1C
InChIInChI=1S/C15H30N2O2/c1-5-17(6-2)10-9-16-15(14(18)19)11-12(3)7-8-13(15)4/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyUPSJRUBSONUPES-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.20
Rot. Bonds7

About 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid

1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid (PubChem CID 64754341) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid
PubChem CID64754341
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CC(C)CCC1C
InChIInChI=1S/C15H30N2O2/c1-5-17(6-2)10-9-16-15(14(18)19)11-12(3)7-8-13(15)4/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyUPSJRUBSONUPES-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
CID 65045444
[1-[2-(diethylamino)ethylamino]-3-methylcyclobutyl]methanol
CID 103564776
ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64754127
1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873019
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide
CID 64755549
1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449379
1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide
CID 106872875
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79576826
4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide
CID 114499582
3-[2-(diethylamino)ethylamino]-2-methylthiane-3-carboxamide
CID 79952038

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid (CID 64754341) is 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid is CCN(CC)CCNC1(C(=O)O)CC(C)CCC1C.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is UPSJRUBSONUPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-17(6-2)10-9-16-15(14(18)19)11-12(3)7-8-13(15)4/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid?
1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.20, 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]-2,5-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64754341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).