[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine

C15H29NO2 — CID 55036245

IUPAC[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCC2CCOC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-3-13-4-7-15(12-16,8-5-13)18-11-14-6-9-17-10-14/h13-14H,2-12,16H2,1H3
InChIKeyWAVIKFKGLLWSEV-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds6

About [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine

[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine (PubChem CID 55036245) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
PubChem CID55036245
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCC2CCOC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-3-13-4-7-15(12-16,8-5-13)18-11-14-6-9-17-10-14/h13-14H,2-12,16H2,1H3
InChIKeyWAVIKFKGLLWSEV-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine (CID 55036245) is [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCC2CCOC2)CC1.
What is the InChIKey of [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is WAVIKFKGLLWSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-13-4-7-15(12-16,8-5-13)18-11-14-6-9-17-10-14/h13-14H,2-12,16H2,1H3.
What are the key properties of [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine?
[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 255.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 55036245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).