[1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine

C13H25NO2 — CID 62107415

IUPAC[1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine
SMILESNCC1(OCC2CCCO2)CCCCCC1
InChIInChI=1S/C13H25NO2/c14-11-13(7-3-1-2-4-8-13)16-10-12-6-5-9-15-12/h12H,1-11,14H2
InChIKeyVLGYFNFCQPBUHN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.23
Rot. Bonds4

About [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine

[1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine (PubChem CID 62107415) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine
PubChem CID62107415
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine
SMILESNCC1(OCC2CCCO2)CCCCCC1
InChIInChI=1S/C13H25NO2/c14-11-13(7-3-1-2-4-8-13)16-10-12-6-5-9-15-12/h12H,1-11,14H2
InChIKeyVLGYFNFCQPBUHN-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine (CID 62107415) is [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine is NCC1(OCC2CCCO2)CCCCCC1.
What is the InChIKey of [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine?
The InChIKey is VLGYFNFCQPBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c14-11-13(7-3-1-2-4-8-13)16-10-12-6-5-9-15-12/h12H,1-11,14H2.
What are the key properties of [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine?
[1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine has a molecular weight of 227.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethoxy)cycloheptyl]methanamine is sourced from PubChem (CID 62107415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).