2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid

C13H26N2O2 — CID 22310792

IUPAC2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCN(C)CC1CCC(CCN(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-14(2)10-12-6-4-11(5-7-12)8-9-15(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyFVKXSTJUVXDMTK-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.35
Rot. Bonds5

About 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid

2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid (PubChem CID 22310792) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid
PubChem CID22310792
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCN(C)CC1CCC(CCN(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-14(2)10-12-6-4-11(5-7-12)8-9-15(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyFVKXSTJUVXDMTK-UHFFFAOYSA-N
XLogP2.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid?
The IUPAC name of 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid (CID 22310792) is 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid is CN(C)CC1CCC(CCN(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid?
The InChIKey is FVKXSTJUVXDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14(2)10-12-6-4-11(5-7-12)8-9-15(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid?
2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid has a molecular weight of 242.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]cyclohexyl]ethyl-methylcarbamic acid is sourced from PubChem (CID 22310792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).