N-(4-ethylcyclohexyl)oxan-3-amine

C13H25NO — CID 63359861

IUPACN-(4-ethylcyclohexyl)oxan-3-amine
SMILESCCC1CCC(NC2CCCOC2)CC1
InChIInChI=1S/C13H25NO/c1-2-11-5-7-12(8-6-11)14-13-4-3-9-15-10-13/h11-14H,2-10H2,1H3
InChIKeyDTRNXDMIJCDKIK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds3

About N-(4-ethylcyclohexyl)oxan-3-amine

N-(4-ethylcyclohexyl)oxan-3-amine (PubChem CID 63359861) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)oxan-3-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)oxan-3-amine
PubChem CID63359861
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(4-ethylcyclohexyl)oxan-3-amine
SMILESCCC1CCC(NC2CCCOC2)CC1
InChIInChI=1S/C13H25NO/c1-2-11-5-7-12(8-6-11)14-13-4-3-9-15-10-13/h11-14H,2-10H2,1H3
InChIKeyDTRNXDMIJCDKIK-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 N-(4-ethylcyclohexyl)oxan-3-amine?
The IUPAC name of N-(4-ethylcyclohexyl)oxan-3-amine (CID 63359861) is N-(4-ethylcyclohexyl)oxan-3-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)oxan-3-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)oxan-3-amine is CCC1CCC(NC2CCCOC2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)oxan-3-amine?
The InChIKey is DTRNXDMIJCDKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-11-5-7-12(8-6-11)14-13-4-3-9-15-10-13/h11-14H,2-10H2,1H3.
What are the key properties of N-(4-ethylcyclohexyl)oxan-3-amine?
N-(4-ethylcyclohexyl)oxan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)oxan-3-amine is sourced from PubChem (CID 63359861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).