1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol

C12H26N2O2 — CID 64821780

IUPAC1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol
SMILESCC1COCCN1CCCCC(C)(O)CN
InChIInChI=1S/C12H26N2O2/c1-11-9-16-8-7-14(11)6-4-3-5-12(2,15)10-13/h11,15H,3-10,13H2,1-2H3
InChIKeyMRPHNZAOBBGFHW-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.59
Rot. Bonds6

About 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol

1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol (PubChem CID 64821780) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol
PubChem CID64821780
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol
SMILESCC1COCCN1CCCCC(C)(O)CN
InChIInChI=1S/C12H26N2O2/c1-11-9-16-8-7-14(11)6-4-3-5-12(2,15)10-13/h11,15H,3-10,13H2,1-2H3
InChIKeyMRPHNZAOBBGFHW-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol?
The IUPAC name of 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol (CID 64821780) is 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol?
The canonical SMILES for 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol is CC1COCCN1CCCCC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol?
The InChIKey is MRPHNZAOBBGFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11-9-16-8-7-14(11)6-4-3-5-12(2,15)10-13/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol?
1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol is sourced from PubChem (CID 64821780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).