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

C15H29N3O3 — CID 115436923

IUPAC1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)CCCN(C)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H29N3O3/c1-17(2)10-7-11-18(3)14(21)16-12-15(13(19)20)8-5-4-6-9-15/h4-12H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyRUGJAEVJNHRUPK-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.61
Rot. Bonds7

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

1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436923) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436923
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)CCCN(C)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H29N3O3/c1-17(2)10-7-11-18(3)14(21)16-12-15(13(19)20)8-5-4-6-9-15/h4-12H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyRUGJAEVJNHRUPK-UHFFFAOYSA-N
XLogP1.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107201761
1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434214
1-[[[2-methoxyethyl(methyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444756
1-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115437002
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443056
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[[butan-2-yl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436713
1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 115436923) is 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is CN(C)CCCN(C)C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RUGJAEVJNHRUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-17(2)10-7-11-18(3)14(21)16-12-15(13(19)20)8-5-4-6-9-15/h4-12H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).