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

C15H28N2O3 — CID 102995766

IUPAC3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CCCN(C)C)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-4-17(10-6-9-16(2)3)14(18)12-7-5-8-13(11-12)15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyNOJYXPBJULUNFT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.68
Rot. Bonds7

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

3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 102995766) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID102995766
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CCCN(C)C)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-4-17(10-6-9-16(2)3)14(18)12-7-5-8-13(11-12)15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyNOJYXPBJULUNFT-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102998102
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237345
2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 102991709
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
3-[bis(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783484
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102992877
4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 62781326
3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549871
N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
CID 102992833
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 102995766) is 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCN(CCCN(C)C)C(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is NOJYXPBJULUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-17(10-6-9-16(2)3)14(18)12-7-5-8-13(11-12)15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102995766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).