[4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol

C17H29NO2 — CID 81212623

IUPAC[4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO2/c1-12-10-20-16(9-19)8-18(12)11-17-5-13-2-14(6-17)4-15(3-13)7-17/h12-16,19H,2-11H2,1H3
InChIKeyPULIRGKOBJKTCW-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.28
Rot. Bonds3

About [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol

[4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81212623) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol
PubChem CID81212623
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name[4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO2/c1-12-10-20-16(9-19)8-18(12)11-17-5-13-2-14(6-17)4-15(3-13)7-17/h12-16,19H,2-11H2,1H3
InChIKeyPULIRGKOBJKTCW-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol (CID 81212623) is [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is PULIRGKOBJKTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12-10-20-16(9-19)8-18(12)11-17-5-13-2-14(6-17)4-15(3-13)7-17/h12-16,19H,2-11H2,1H3.
What are the key properties of [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol?
[4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 279.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantylmethyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81212623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).