2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid

C17H31NO2 — CID 65241075

IUPAC2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
SMILESCN(C1CCC(C)(C)CC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H31NO2/c1-16(2)11-7-14(8-12-16)18(3)17(13-15(19)20)9-5-4-6-10-17/h14H,4-13H2,1-3H3,(H,19,20)
InChIKeySWVHEWQNNICCHX-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.06
Rot. Bonds4

About 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid

2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid (PubChem CID 65241075) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
PubChem CID65241075
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
SMILESCN(C1CCC(C)(C)CC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H31NO2/c1-16(2)11-7-14(8-12-16)18(3)17(13-15(19)20)9-5-4-6-10-17/h14H,4-13H2,1-3H3,(H,19,20)
InChIKeySWVHEWQNNICCHX-UHFFFAOYSA-N
XLogP4.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid (CID 65241075) is 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid is CN(C1CCC(C)(C)CC1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid?
The InChIKey is SWVHEWQNNICCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-16(2)11-7-14(8-12-16)18(3)17(13-15(19)20)9-5-4-6-10-17/h14H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid?
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid has a molecular weight of 281.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65241075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).