1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C15H27NO3 — CID 43437254

IUPAC1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCCCCN(C)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-3-4-8-11-16(2)13(17)12-15(14(18)19)9-6-5-7-10-15/h3-12H2,1-2H3,(H,18,19)
InChIKeyGAAZXBIBHZQGST-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds7

About 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43437254) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID43437254
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCCCCN(C)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-3-4-8-11-16(2)13(17)12-15(14(18)19)9-6-5-7-10-15/h3-12H2,1-2H3,(H,18,19)
InChIKeyGAAZXBIBHZQGST-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249
1-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107198577
1-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114230125
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
1-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113499545
1-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63207757
2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
CID 64685530
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129
1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43529142
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-octylcyclononane-1-carboxylic acid
CID 71245674

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43437254) is 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CCCCCN(C)C(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is GAAZXBIBHZQGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-4-8-11-16(2)13(17)12-15(14(18)19)9-6-5-7-10-15/h3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43437254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).