N-[2-(oxan-4-yl)ethyl]cyclohexanamine

C13H25NO — CID 70262284

IUPACN-[2-(oxan-4-yl)ethyl]cyclohexanamine
SMILESC1CCC(NCCC2CCOCC2)CC1
InChIInChI=1S/C13H25NO/c1-2-4-13(5-3-1)14-9-6-12-7-10-15-11-8-12/h12-14H,1-11H2
InChIKeyHGHCTNJMMCSWQH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(oxan-4-yl)ethyl]cyclohexanamine

N-[2-(oxan-4-yl)ethyl]cyclohexanamine (PubChem CID 70262284) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[2-(oxan-4-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(oxan-4-yl)ethyl]cyclohexanamine
PubChem CID70262284
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[2-(oxan-4-yl)ethyl]cyclohexanamine
SMILESC1CCC(NCCC2CCOCC2)CC1
InChIInChI=1S/C13H25NO/c1-2-4-13(5-3-1)14-9-6-12-7-10-15-11-8-12/h12-14H,1-11H2
InChIKeyHGHCTNJMMCSWQH-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(oxan-4-yl)ethyl]cyclohexanamine (CID 70262284) is N-[2-(oxan-4-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(oxan-4-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(oxan-4-yl)ethyl]cyclohexanamine is C1CCC(NCCC2CCOCC2)CC1.
What is the InChIKey of N-[2-(oxan-4-yl)ethyl]cyclohexanamine?
The InChIKey is HGHCTNJMMCSWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-4-13(5-3-1)14-9-6-12-7-10-15-11-8-12/h12-14H,1-11H2.
What are the key properties of N-[2-(oxan-4-yl)ethyl]cyclohexanamine?
N-[2-(oxan-4-yl)ethyl]cyclohexanamine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 70262284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).