[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine

C15H29NO — CID 55036284

IUPAC[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
SMILESCC1CCC(OC2(CN)CCCCCC2)CC1
InChIInChI=1S/C15H29NO/c1-13-6-8-14(9-7-13)17-15(12-16)10-4-2-3-5-11-15/h13-14H,2-12,16H2,1H3
InChIKeyPJRUJLHDSZIFBY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.63
Rot. Bonds3

About [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine

[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine (PubChem CID 55036284) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
PubChem CID55036284
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
SMILESCC1CCC(OC2(CN)CCCCCC2)CC1
InChIInChI=1S/C15H29NO/c1-13-6-8-14(9-7-13)17-15(12-16)10-4-2-3-5-11-15/h13-14H,2-12,16H2,1H3
InChIKeyPJRUJLHDSZIFBY-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine?
The IUPAC name of [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine (CID 55036284) is [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine.
What is the SMILES notation for [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine?
The canonical SMILES for [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine is CC1CCC(OC2(CN)CCCCCC2)CC1.
What is the InChIKey of [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine?
The InChIKey is PJRUJLHDSZIFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13-6-8-14(9-7-13)17-15(12-16)10-4-2-3-5-11-15/h13-14H,2-12,16H2,1H3.
What are the key properties of [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine?
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylcyclohexyl)oxycycloheptyl]methanamine is sourced from PubChem (CID 55036284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).