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

C14H27N3O3 — CID 63700992

IUPAC4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)CCCN(C)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-16(2)9-4-10-17(3)14(20)15-12-7-5-11(6-8-12)13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFSERKWGUFZFHCW-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds6

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

4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63700992) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63700992
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)CCCN(C)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-16(2)9-4-10-17(3)14(20)15-12-7-5-11(6-8-12)13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFSERKWGUFZFHCW-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(4-fluorophenoxy)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024983
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
cis-(1R,3S)-3-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319406
4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid
CID 43329797
4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 117029342
4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024923
4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023607
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
4-[[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024082
4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025052
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (CID 63700992) is 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is CN(C)CCCN(C)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FSERKWGUFZFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-16(2)9-4-10-17(3)14(20)15-12-7-5-11(6-8-12)13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63700992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).