[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate

C13H25NO3 — CID 79338390

IUPAC[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC1CCCCC1CN
InChIInChI=1S/C13H25NO3/c1-10(2)8-16-13(15)17-9-12-6-4-3-5-11(12)7-14/h10-12H,3-9,14H2,1-2H3
InChIKeyOGVWKGAVSZBRAD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.56
Rot. Bonds5

About [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate

[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate (PubChem CID 79338390) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate
PubChem CID79338390
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC1CCCCC1CN
InChIInChI=1S/C13H25NO3/c1-10(2)8-16-13(15)17-9-12-6-4-3-5-11(12)7-14/h10-12H,3-9,14H2,1-2H3
InChIKeyOGVWKGAVSZBRAD-UHFFFAOYSA-N
XLogP2.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate?
The IUPAC name of [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate (CID 79338390) is [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate is CC(C)COC(=O)OCC1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate?
The InChIKey is OGVWKGAVSZBRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)8-16-13(15)17-9-12-6-4-3-5-11(12)7-14/h10-12H,3-9,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate?
[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate has a molecular weight of 243.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate is sourced from PubChem (CID 79338390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).