2-cyclohexyl-1-(oxan-4-yl)ethanamine

C13H25NO — CID 65329431

IUPAC2-cyclohexyl-1-(oxan-4-yl)ethanamine
SMILESNC(CC1CCCCC1)C1CCOCC1
InChIInChI=1S/C13H25NO/c14-13(12-6-8-15-9-7-12)10-11-4-2-1-3-5-11/h11-13H,1-10,14H2
InChIKeyFGMMLUBSBXETGH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds3

About 2-cyclohexyl-1-(oxan-4-yl)ethanamine

2-cyclohexyl-1-(oxan-4-yl)ethanamine (PubChem CID 65329431) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclohexyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(oxan-4-yl)ethanamine
PubChem CID65329431
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-cyclohexyl-1-(oxan-4-yl)ethanamine
SMILESNC(CC1CCCCC1)C1CCOCC1
InChIInChI=1S/C13H25NO/c14-13(12-6-8-15-9-7-12)10-11-4-2-1-3-5-11/h11-13H,1-10,14H2
InChIKeyFGMMLUBSBXETGH-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
1,2-di(cyclobutyl)ethanamine
CID 65456758
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159
[1-cycloheptyl-2-(oxan-4-yl)ethyl]hydrazine
CID 105231923
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine
CID 141086747

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(oxan-4-yl)ethanamine (CID 65329431) is 2-cyclohexyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(oxan-4-yl)ethanamine is NC(CC1CCCCC1)C1CCOCC1.
What is the InChIKey of 2-cyclohexyl-1-(oxan-4-yl)ethanamine?
The InChIKey is FGMMLUBSBXETGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c14-13(12-6-8-15-9-7-12)10-11-4-2-1-3-5-11/h11-13H,1-10,14H2.
What are the key properties of 2-cyclohexyl-1-(oxan-4-yl)ethanamine?
2-cyclohexyl-1-(oxan-4-yl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65329431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).