1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid

C13H25NO2 — CID 43803655

IUPAC1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(CC)CC)CC1
InChIInChI=1S/C13H25NO2/c1-4-11-7-9-13(10-8-11,12(15)16)14(5-2)6-3/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyXBCWBDCSJMQJMZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds5

About 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid

1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 43803655) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
PubChem CID43803655
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(CC)CC)CC1
InChIInChI=1S/C13H25NO2/c1-4-11-7-9-13(10-8-11,12(15)16)14(5-2)6-3/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyXBCWBDCSJMQJMZ-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)cyclododecane-1-carboxylic acid
CID 43803612
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82238491
4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
CID 43803639
2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
CID 65087597
1-(1-carboxycyclohexyl)-4-ethylcyclohexane-1-carboxylic acid
CID 70366227
3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 64514983
1-[cyclopropyl(ethyl)amino]cyclopentane-1-carboxylic acid
CID 82238498
1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 80699020
1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 114991397
4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
CID 114989210
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid (CID 43803655) is 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)(N(CC)CC)CC1.
What is the InChIKey of 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is XBCWBDCSJMQJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11-7-9-13(10-8-11,12(15)16)14(5-2)6-3/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid?
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43803655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).