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

C14H27NO — CID 62604163

IUPAC1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
SMILESCC1CCC(C(N)CC2CCOCC2)CC1
InChIInChI=1S/C14H27NO/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h11-14H,2-10,15H2,1H3
InChIKeyRJNVHPGMGPYAEU-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.96
Rot. Bonds3

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

1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine (PubChem CID 62604163) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
PubChem CID62604163
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
SMILESCC1CCC(C(N)CC2CCOCC2)CC1
InChIInChI=1S/C14H27NO/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h11-14H,2-10,15H2,1H3
InChIKeyRJNVHPGMGPYAEU-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine (CID 62604163) is 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine is CC1CCC(C(N)CC2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The InChIKey is RJNVHPGMGPYAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h11-14H,2-10,15H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine?
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine has a molecular weight of 225.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 62604163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).