N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine

C14H27NO — CID 103273091

IUPACN-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine
SMILESCNCCC1(OC2CCCCC2C)CCC1
InChIInChI=1S/C14H27NO/c1-12-6-3-4-7-13(12)16-14(8-5-9-14)10-11-15-2/h12-13,15H,3-11H2,1-2H3
InChIKeyZHCRYXWYAQBXTI-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine

N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine (PubChem CID 103273091) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine
PubChem CID103273091
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine
SMILESCNCCC1(OC2CCCCC2C)CCC1
InChIInChI=1S/C14H27NO/c1-12-6-3-4-7-13(12)16-14(8-5-9-14)10-11-15-2/h12-13,15H,3-11H2,1-2H3
InChIKeyZHCRYXWYAQBXTI-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine?
The IUPAC name of N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine (CID 103273091) is N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine is CNCCC1(OC2CCCCC2C)CCC1.
What is the InChIKey of N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine?
The InChIKey is ZHCRYXWYAQBXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-6-3-4-7-13(12)16-14(8-5-9-14)10-11-15-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine?
N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine is sourced from PubChem (CID 103273091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).