[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine

C11H21NO2 — CID 82776616

IUPAC[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1COC(CC2CCCCC2)O1
InChIInChI=1S/C11H21NO2/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h9-11H,1-8,12H2
InChIKeyKCPYMVYDAAVFLQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.66
Rot. Bonds3

About [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine

[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 82776616) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID82776616
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1COC(CC2CCCCC2)O1
InChIInChI=1S/C11H21NO2/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h9-11H,1-8,12H2
InChIKeyKCPYMVYDAAVFLQ-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine (CID 82776616) is [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine is NCC1COC(CC2CCCCC2)O1.
What is the InChIKey of [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is KCPYMVYDAAVFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h9-11H,1-8,12H2.
What are the key properties of [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine?
[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82776616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).