2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid

C14H26N2O3 — CID 83214456

IUPAC2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
SMILESCC(N)CCCC(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(15)6-5-8-12(17)16-11-7-3-4-9-14(11,2)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMUKSEORJDWRYOU-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.65
Rot. Bonds6

About 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid

2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83214456) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
PubChem CID83214456
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
SMILESCC(N)CCCC(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(15)6-5-8-12(17)16-11-7-3-4-9-14(11,2)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMUKSEORJDWRYOU-UHFFFAOYSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid (CID 83214456) is 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid is CC(N)CCCC(=O)NC1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is MUKSEORJDWRYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(15)6-5-8-12(17)16-11-7-3-4-9-14(11,2)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid?
2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83214456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).