[4-(cyclooctylmethylamino)oxan-4-yl]methanol

C15H29NO2 — CID 114207828

IUPAC[4-(cyclooctylmethylamino)oxan-4-yl]methanol
SMILESOCC1(NCC2CCCCCCC2)CCOCC1
InChIInChI=1S/C15H29NO2/c17-13-15(8-10-18-11-9-15)16-12-14-6-4-2-1-3-5-7-14/h14,16-17H,1-13H2
InChIKeyPRLKNKLIMABFCA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.48
Rot. Bonds4

About [4-(cyclooctylmethylamino)oxan-4-yl]methanol

[4-(cyclooctylmethylamino)oxan-4-yl]methanol (PubChem CID 114207828) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [4-(cyclooctylmethylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(cyclooctylmethylamino)oxan-4-yl]methanol
PubChem CID114207828
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[4-(cyclooctylmethylamino)oxan-4-yl]methanol
SMILESOCC1(NCC2CCCCCCC2)CCOCC1
InChIInChI=1S/C15H29NO2/c17-13-15(8-10-18-11-9-15)16-12-14-6-4-2-1-3-5-7-14/h14,16-17H,1-13H2
InChIKeyPRLKNKLIMABFCA-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclobutylmethylamino)oxan-4-yl]methanol
CID 103713933
[1-(cyclobutylmethylamino)cyclohexyl]methanol
CID 65459866
[3-(cyclopropylmethylamino)oxolan-3-yl]methanol
CID 63333038
[1-(oxan-3-ylmethylamino)cyclopropyl]methanol
CID 115909437
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251
[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol
CID 114223810
[1-(cyclopropylmethylamino)-4-ethylcyclohexyl]methanol
CID 61056029
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
CID 106298082
N-(cyclopentylmethyl)-3-ethyloxetan-3-amine
CID 165459677
[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 61044749
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587

Frequently Asked Questions

What is the IUPAC name of [4-(cyclooctylmethylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(cyclooctylmethylamino)oxan-4-yl]methanol (CID 114207828) is [4-(cyclooctylmethylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(cyclooctylmethylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(cyclooctylmethylamino)oxan-4-yl]methanol is OCC1(NCC2CCCCCCC2)CCOCC1.
What is the InChIKey of [4-(cyclooctylmethylamino)oxan-4-yl]methanol?
The InChIKey is PRLKNKLIMABFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c17-13-15(8-10-18-11-9-15)16-12-14-6-4-2-1-3-5-7-14/h14,16-17H,1-13H2.
What are the key properties of [4-(cyclooctylmethylamino)oxan-4-yl]methanol?
[4-(cyclooctylmethylamino)oxan-4-yl]methanol has a molecular weight of 255.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclooctylmethylamino)oxan-4-yl]methanol is sourced from PubChem (CID 114207828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).