[4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol

C12H26N2O2 — CID 81213633

IUPAC[4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol
SMILESCCC(C)(CN)CN1CC(CO)OCC1C
InChIInChI=1S/C12H26N2O2/c1-4-12(3,8-13)9-14-5-11(6-15)16-7-10(14)2/h10-11,15H,4-9,13H2,1-3H3
InChIKeyZEBYKGBRYKEXQS-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.44
Rot. Bonds5

About [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol

[4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81213633) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81213633
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name[4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol
SMILESCCC(C)(CN)CN1CC(CO)OCC1C
InChIInChI=1S/C12H26N2O2/c1-4-12(3,8-13)9-14-5-11(6-15)16-7-10(14)2/h10-11,15H,4-9,13H2,1-3H3
InChIKeyZEBYKGBRYKEXQS-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol
CID 114495754
[4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol
CID 81214331
2-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methylbutan-1-ol
CID 62272394
[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol
CID 81203343
[4-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-5-methylmorpholin-2-yl]methanol
CID 81212705
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
CID 102977802
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
CID 81219711

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol (CID 81213633) is [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol is CCC(C)(CN)CN1CC(CO)OCC1C.
What is the InChIKey of [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is ZEBYKGBRYKEXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-12(3,8-13)9-14-5-11(6-15)16-7-10(14)2/h10-11,15H,4-9,13H2,1-3H3.
What are the key properties of [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol?
[4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 230.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81213633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).