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

C13H25NO — CID 62600303

IUPAC1-cyclohexyl-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H25NO/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h11-13H,1-10,14H2
InChIKeyLHCDNQOZMBRIEY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds3

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

1-cyclohexyl-2-(oxan-4-yl)ethanamine (PubChem CID 62600303) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(oxan-4-yl)ethanamine
PubChem CID62600303
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclohexyl-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H25NO/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h11-13H,1-10,14H2
InChIKeyLHCDNQOZMBRIEY-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

2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
[1-cycloheptyl-2-(oxan-4-yl)ethyl]hydrazine
CID 105231923
1,2-di(cyclobutyl)ethanamine
CID 65456758
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 115846799
2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621767
1-cyclopentyl-2-(1,3-dioxolan-2-yl)ethanamine
CID 103543892

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(oxan-4-yl)ethanamine (CID 62600303) is 1-cyclohexyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(oxan-4-yl)ethanamine is NC(CC1CCOCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(oxan-4-yl)ethanamine?
The InChIKey is LHCDNQOZMBRIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h11-13H,1-10,14H2.
What are the key properties of 1-cyclohexyl-2-(oxan-4-yl)ethanamine?
1-cyclohexyl-2-(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 1-cyclohexyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 62600303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).