[4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid

C14H28N2O2 — CID 22294246

IUPAC[4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid
SMILESCCN(CC)CC1CCC(CN(C)C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-16(5-2)11-13-8-6-12(7-9-13)10-15(3)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyCGSVMVNDAVJZBT-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.74
Rot. Bonds6

About [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid

[4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid (PubChem CID 22294246) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid
PubChem CID22294246
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid
SMILESCCN(CC)CC1CCC(CN(C)C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-16(5-2)11-13-8-6-12(7-9-13)10-15(3)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyCGSVMVNDAVJZBT-UHFFFAOYSA-N
XLogP2.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid?
The IUPAC name of [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid (CID 22294246) is [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid.
What is the SMILES notation for [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid?
The canonical SMILES for [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid is CCN(CC)CC1CCC(CN(C)C(=O)O)CC1.
What is the InChIKey of [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid?
The InChIKey is CGSVMVNDAVJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-16(5-2)11-13-8-6-12(7-9-13)10-15(3)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid?
[4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid has a molecular weight of 256.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)cyclohexyl]methyl-methylcarbamic acid is sourced from PubChem (CID 22294246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).