3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine

C12H23NO2 — CID 10774960

IUPAC3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine
SMILESNCCCC1(C2OCCO2)CCCCC1
InChIInChI=1S/C12H23NO2/c13-8-4-7-12(5-2-1-3-6-12)11-14-9-10-15-11/h11H,1-10,13H2
InChIKeyBOMJITAMLAALOQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.05
Rot. Bonds4

About 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine

3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine (PubChem CID 10774960) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine
PubChem CID10774960
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine
SMILESNCCCC1(C2OCCO2)CCCCC1
InChIInChI=1S/C12H23NO2/c13-8-4-7-12(5-2-1-3-6-12)11-14-9-10-15-11/h11H,1-10,13H2
InChIKeyBOMJITAMLAALOQ-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine (CID 10774960) is 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine is NCCCC1(C2OCCO2)CCCCC1.
What is the InChIKey of 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine?
The InChIKey is BOMJITAMLAALOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-8-4-7-12(5-2-1-3-6-12)11-14-9-10-15-11/h11H,1-10,13H2.
What are the key properties of 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine?
3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 10774960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).