4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid

C13H26N2O2 — CID 117029342

IUPAC4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
SMILESCN(C)CCCN(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-14(2)9-4-10-15(3)12-7-5-11(6-8-12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyIAFPQXAXBZAGEU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.51
Rot. Bonds6

About 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid

4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 117029342) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
PubChem CID117029342
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
SMILESCN(C)CCCN(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-14(2)9-4-10-15(3)12-7-5-11(6-8-12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyIAFPQXAXBZAGEU-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 138986360
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
4-[[3-(dimethylamino)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964071
2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 55226608
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
3-N-[3-(dimethylamino)propyl]-3-N-methylcyclopentane-1,3-diamine
CID 79469198
4-[(2-boronocyclohexyl)methyl-methylamino]cyclohexane-1-carboxylic acid
CID 140644261
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 115149122

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid (CID 117029342) is 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid is CN(C)CCCN(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is IAFPQXAXBZAGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14(2)9-4-10-15(3)12-7-5-11(6-8-12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid?
4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117029342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).