[2-(cycloheptyloxymethyl)cyclopentyl]methanamine

C14H27NO — CID 82928660

IUPAC[2-(cycloheptyloxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COC1CCCCCC1
InChIInChI=1S/C14H27NO/c15-10-12-6-5-7-13(12)11-16-14-8-3-1-2-4-9-14/h12-14H,1-11,15H2
InChIKeyXJTOCHROPUZAAF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.10
Rot. Bonds4

About [2-(cycloheptyloxymethyl)cyclopentyl]methanamine

[2-(cycloheptyloxymethyl)cyclopentyl]methanamine (PubChem CID 82928660) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [2-(cycloheptyloxymethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(cycloheptyloxymethyl)cyclopentyl]methanamine
PubChem CID82928660
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[2-(cycloheptyloxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COC1CCCCCC1
InChIInChI=1S/C14H27NO/c15-10-12-6-5-7-13(12)11-16-14-8-3-1-2-4-9-14/h12-14H,1-11,15H2
InChIKeyXJTOCHROPUZAAF-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptyloxymethyl)cyclopentyl]methanamine?
The IUPAC name of [2-(cycloheptyloxymethyl)cyclopentyl]methanamine (CID 82928660) is [2-(cycloheptyloxymethyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(cycloheptyloxymethyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(cycloheptyloxymethyl)cyclopentyl]methanamine is NCC1CCCC1COC1CCCCCC1.
What is the InChIKey of [2-(cycloheptyloxymethyl)cyclopentyl]methanamine?
The InChIKey is XJTOCHROPUZAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c15-10-12-6-5-7-13(12)11-16-14-8-3-1-2-4-9-14/h12-14H,1-11,15H2.
What are the key properties of [2-(cycloheptyloxymethyl)cyclopentyl]methanamine?
[2-(cycloheptyloxymethyl)cyclopentyl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptyloxymethyl)cyclopentyl]methanamine is sourced from PubChem (CID 82928660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).