1-(diethylamino)cyclododecane-1-carboxylic acid

C17H33NO2 — CID 43803612

IUPAC1-(diethylamino)cyclododecane-1-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCCCCCCCCCC1
InChIInChI=1S/C17H33NO2/c1-3-18(4-2)17(16(19)20)14-12-10-8-6-5-7-9-11-13-15-17/h3-15H2,1-2H3,(H,19,20)
InChIKeySFXBMBHINWUJRU-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.46
Rot. Bonds4

About 1-(diethylamino)cyclododecane-1-carboxylic acid

1-(diethylamino)cyclododecane-1-carboxylic acid (PubChem CID 43803612) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(diethylamino)cyclododecane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylamino)cyclododecane-1-carboxylic acid
PubChem CID43803612
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(diethylamino)cyclododecane-1-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCCCCCCCCCC1
InChIInChI=1S/C17H33NO2/c1-3-18(4-2)17(16(19)20)14-12-10-8-6-5-7-9-11-13-15-17/h3-15H2,1-2H3,(H,19,20)
InChIKeySFXBMBHINWUJRU-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 114991397
1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 114996679
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-(diethylamino)cyclohexane-1-carboxamide
CID 16762798
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43803655
1-[1-(diethylamino)cyclopentyl]propan-1-one
CID 79070006
4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
CID 43803639
3-(diethylamino)azetidine-3-carboxylic acid
CID 105435137
1-[methyl(propyl)amino]cyclooctane-1-carboxylic acid
CID 82238465
1-[cyclopropyl(ethyl)amino]cyclopentane-1-carboxylic acid
CID 82238498
1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 80699020

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)cyclododecane-1-carboxylic acid?
The IUPAC name of 1-(diethylamino)cyclododecane-1-carboxylic acid (CID 43803612) is 1-(diethylamino)cyclododecane-1-carboxylic acid.
What is the SMILES notation for 1-(diethylamino)cyclododecane-1-carboxylic acid?
The canonical SMILES for 1-(diethylamino)cyclododecane-1-carboxylic acid is CCN(CC)C1(C(=O)O)CCCCCCCCCCC1.
What is the InChIKey of 1-(diethylamino)cyclododecane-1-carboxylic acid?
The InChIKey is SFXBMBHINWUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-18(4-2)17(16(19)20)14-12-10-8-6-5-7-9-11-13-15-17/h3-15H2,1-2H3,(H,19,20).
What are the key properties of 1-(diethylamino)cyclododecane-1-carboxylic acid?
1-(diethylamino)cyclododecane-1-carboxylic acid has a molecular weight of 283.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)cyclododecane-1-carboxylic acid is sourced from PubChem (CID 43803612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).