[2-(oxan-4-ylmethylamino)cyclohexyl]methanol

C13H25NO2 — CID 115685723

IUPAC[2-(oxan-4-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1NCC1CCOCC1
InChIInChI=1S/C13H25NO2/c15-10-12-3-1-2-4-13(12)14-9-11-5-7-16-8-6-11/h11-15H,1-10H2
InChIKeyCLILZWJYXXCAJA-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.55
Rot. Bonds4

About [2-(oxan-4-ylmethylamino)cyclohexyl]methanol

[2-(oxan-4-ylmethylamino)cyclohexyl]methanol (PubChem CID 115685723) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [2-(oxan-4-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(oxan-4-ylmethylamino)cyclohexyl]methanol
PubChem CID115685723
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[2-(oxan-4-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1NCC1CCOCC1
InChIInChI=1S/C13H25NO2/c15-10-12-3-1-2-4-13(12)14-9-11-5-7-16-8-6-11/h11-15H,1-10H2
InChIKeyCLILZWJYXXCAJA-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methylcyclohexyl)methylamino]cyclohexyl]methanol
CID 103872929
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
[2-(oxan-2-ylmethylamino)cyclopentyl]methanol
CID 106360917
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
[2-(piperidin-3-ylmethylamino)cyclohexyl]methanol
CID 106359738
[2-(thiolan-3-ylmethylamino)cyclopentyl]methanol
CID 107166450
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
CID 126846605
2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 65045602
[2-(piperidin-3-ylmethylamino)cyclopentyl]methanol
CID 106359502
[2-[(1-methylpiperidin-3-yl)methylamino]cyclopentyl]methanol
CID 106359457

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [2-(oxan-4-ylmethylamino)cyclohexyl]methanol (CID 115685723) is [2-(oxan-4-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(oxan-4-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(oxan-4-ylmethylamino)cyclohexyl]methanol is OCC1CCCCC1NCC1CCOCC1.
What is the InChIKey of [2-(oxan-4-ylmethylamino)cyclohexyl]methanol?
The InChIKey is CLILZWJYXXCAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-10-12-3-1-2-4-13(12)14-9-11-5-7-16-8-6-11/h11-15H,1-10H2.
What are the key properties of [2-(oxan-4-ylmethylamino)cyclohexyl]methanol?
[2-(oxan-4-ylmethylamino)cyclohexyl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 115685723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).