4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid

C14H28N2O2 — CID 79532481

IUPAC4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-16(4-2)10-9-15-11-12-5-7-13(8-6-12)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18)
InChIKeyWCBCBWRSYGBXTL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.81
Rot. Bonds8

About 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid

4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79532481) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79532481
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-16(4-2)10-9-15-11-12-5-7-13(8-6-12)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18)
InChIKeyWCBCBWRSYGBXTL-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
4-[[3-(dimethylamino)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964071
4-[(2-ethoxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79531975
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
4-[(2-acetamidoethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532227
4-[(2-propan-2-yloxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532230
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
3-(diethylaminomethyl)cyclopentane-1-carboxylic acid
CID 83819168
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid (CID 79532481) is 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid is CCN(CC)CCNCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WCBCBWRSYGBXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-16(4-2)10-9-15-11-12-5-7-13(8-6-12)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 256.39 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79532481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).