[4-(diethylaminomethyl)cyclohexyl] formate

C12H23NO2 — CID 57097650

IUPAC[4-(diethylaminomethyl)cyclohexyl] formate
SMILESCCN(CC)CC1CCC(OC=O)CC1
InChIInChI=1S/C12H23NO2/c1-3-13(4-2)9-11-5-7-12(8-6-11)15-10-14/h10-12H,3-9H2,1-2H3
InChIKeyNNCVTZQYXOJVAY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds6

About [4-(diethylaminomethyl)cyclohexyl] formate

[4-(diethylaminomethyl)cyclohexyl] formate (PubChem CID 57097650) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [4-(diethylaminomethyl)cyclohexyl] formate.

Molecular Properties

Compound Name[4-(diethylaminomethyl)cyclohexyl] formate
PubChem CID57097650
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[4-(diethylaminomethyl)cyclohexyl] formate
SMILESCCN(CC)CC1CCC(OC=O)CC1
InChIInChI=1S/C12H23NO2/c1-3-13(4-2)9-11-5-7-12(8-6-11)15-10-14/h10-12H,3-9H2,1-2H3
InChIKeyNNCVTZQYXOJVAY-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
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-(diethylaminomethyl)cyclohexyl] formate?
The IUPAC name of [4-(diethylaminomethyl)cyclohexyl] formate (CID 57097650) is [4-(diethylaminomethyl)cyclohexyl] formate.
What is the SMILES notation for [4-(diethylaminomethyl)cyclohexyl] formate?
The canonical SMILES for [4-(diethylaminomethyl)cyclohexyl] formate is CCN(CC)CC1CCC(OC=O)CC1.
What is the InChIKey of [4-(diethylaminomethyl)cyclohexyl] formate?
The InChIKey is NNCVTZQYXOJVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13(4-2)9-11-5-7-12(8-6-11)15-10-14/h10-12H,3-9H2,1-2H3.
What are the key properties of [4-(diethylaminomethyl)cyclohexyl] formate?
[4-(diethylaminomethyl)cyclohexyl] formate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)cyclohexyl] formate is sourced from PubChem (CID 57097650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).