[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine

C14H27NO — CID 80603057

IUPAC[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
SMILESNCC1(CC2CCCO2)CCCCCCC1
InChIInChI=1S/C14H27NO/c15-12-14(11-13-7-6-10-16-13)8-4-2-1-3-5-9-14/h13H,1-12,15H2
InChIKeyATWIYLUMQPEYCM-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds3

About [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine

[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine (PubChem CID 80603057) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
PubChem CID80603057
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
SMILESNCC1(CC2CCCO2)CCCCCCC1
InChIInChI=1S/C14H27NO/c15-12-14(11-13-7-6-10-16-13)8-4-2-1-3-5-9-14/h13H,1-12,15H2
InChIKeyATWIYLUMQPEYCM-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane
CID 174522535
1-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65142760
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
CID 103970098
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(oxolan-2-yl)acetamide
CID 113295133
2-(aminomethyl)-2-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65392569
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-methoxy-N-[[1-(oxolan-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 55106983
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278
N-methyl-1-[1-(oxolan-2-ylmethyl)cyclopropyl]methanamine
CID 66025753
[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methanamine
CID 103138394

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine?
The IUPAC name of [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine (CID 80603057) is [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine.
What is the SMILES notation for [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine?
The canonical SMILES for [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine is NCC1(CC2CCCO2)CCCCCCC1.
What is the InChIKey of [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine?
The InChIKey is ATWIYLUMQPEYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c15-12-14(11-13-7-6-10-16-13)8-4-2-1-3-5-9-14/h13H,1-12,15H2.
What are the key properties of [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine?
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethyl)cyclooctyl]methanamine is sourced from PubChem (CID 80603057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).