[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol

C13H28N2O2 — CID 81203343

IUPAC[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCCC(C)(C)CN
InChIInChI=1S/C13H28N2O2/c1-11-9-17-12(8-16)7-15(11)6-4-5-13(2,3)10-14/h11-12,16H,4-10,14H2,1-3H3
InChIKeyWMNQYKKILWWCNU-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.83
Rot. Bonds6

About [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol

[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81203343) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol
PubChem CID81203343
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCCC(C)(C)CN
InChIInChI=1S/C13H28N2O2/c1-11-9-17-12(8-16)7-15(11)6-4-5-13(2,3)10-14/h11-12,16H,4-10,14H2,1-3H3
InChIKeyWMNQYKKILWWCNU-UHFFFAOYSA-N
XLogP0.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol (CID 81203343) is [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1CCCC(C)(C)CN.
What is the InChIKey of [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is WMNQYKKILWWCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11-9-17-12(8-16)7-15(11)6-4-5-13(2,3)10-14/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol?
[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 244.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81203343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).