[4-(methylaminomethyl)cyclohexyl] formate

C9H17NO2 — CID 57016890

IUPAC[4-(methylaminomethyl)cyclohexyl] formate
SMILESCNCC1CCC(OC=O)CC1
InChIInChI=1S/C9H17NO2/c1-10-6-8-2-4-9(5-3-8)12-7-11/h7-10H,2-6H2,1H3
InChIKeyHIFUOLFHRZJGBE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds4

About [4-(methylaminomethyl)cyclohexyl] formate

[4-(methylaminomethyl)cyclohexyl] formate (PubChem CID 57016890) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [4-(methylaminomethyl)cyclohexyl] formate.

Molecular Properties

Compound Name[4-(methylaminomethyl)cyclohexyl] formate
PubChem CID57016890
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[4-(methylaminomethyl)cyclohexyl] formate
SMILESCNCC1CCC(OC=O)CC1
InChIInChI=1S/C9H17NO2/c1-10-6-8-2-4-9(5-3-8)12-7-11/h7-10H,2-6H2,1H3
InChIKeyHIFUOLFHRZJGBE-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)cyclohexyl] formate?
The IUPAC name of [4-(methylaminomethyl)cyclohexyl] formate (CID 57016890) is [4-(methylaminomethyl)cyclohexyl] formate.
What is the SMILES notation for [4-(methylaminomethyl)cyclohexyl] formate?
The canonical SMILES for [4-(methylaminomethyl)cyclohexyl] formate is CNCC1CCC(OC=O)CC1.
What is the InChIKey of [4-(methylaminomethyl)cyclohexyl] formate?
The InChIKey is HIFUOLFHRZJGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-6-8-2-4-9(5-3-8)12-7-11/h7-10H,2-6H2,1H3.
What are the key properties of [4-(methylaminomethyl)cyclohexyl] formate?
[4-(methylaminomethyl)cyclohexyl] formate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)cyclohexyl] formate is sourced from PubChem (CID 57016890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).