4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C13H25NO — CID 43179161

IUPAC4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C13H25NO/c1-2-11-5-7-12(8-6-11)14-10-13-4-3-9-15-13/h11-14H,2-10H2,1H3
InChIKeyOQZVAWFLKXOTAU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 43179161) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID43179161
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C13H25NO/c1-2-11-5-7-12(8-6-11)14-10-13-4-3-9-15-13/h11-14H,2-10H2,1H3
InChIKeyOQZVAWFLKXOTAU-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 43179161) is 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CCC1CCC(NCC2CCCO2)CC1.
What is the InChIKey of 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is OQZVAWFLKXOTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-11-5-7-12(8-6-11)14-10-13-4-3-9-15-13/h11-14H,2-10H2,1H3.
What are the key properties of 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43179161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).