(2R,3R)-3-methyl-4-methyliminohexan-2-ol

C8H17NO — CID 171517743

IUPAC(2R,3R)-3-methyl-4-methyliminohexan-2-ol
SMILESCC/C(=N\C)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C8H17NO/c1-5-8(9-4)6(2)7(3)10/h6-7,10H,5H2,1-4H3/b9-8+/t6-,7+/m0/s1
InChIKeyOMQFLHNGCJZXFN-DXOPJGFUSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds3

About (2R,3R)-3-methyl-4-methyliminohexan-2-ol

(2R,3R)-3-methyl-4-methyliminohexan-2-ol (PubChem CID 171517743) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2R,3R)-3-methyl-4-methyliminohexan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-methyl-4-methyliminohexan-2-ol
PubChem CID171517743
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2R,3R)-3-methyl-4-methyliminohexan-2-ol
SMILESCC/C(=N\C)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C8H17NO/c1-5-8(9-4)6(2)7(3)10/h6-7,10H,5H2,1-4H3/b9-8+/t6-,7+/m0/s1
InChIKeyOMQFLHNGCJZXFN-DXOPJGFUSA-N
XLogP1.48
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-4-methyliminohexan-2-ol?
The IUPAC name of (2R,3R)-3-methyl-4-methyliminohexan-2-ol (CID 171517743) is (2R,3R)-3-methyl-4-methyliminohexan-2-ol.
What is the SMILES notation for (2R,3R)-3-methyl-4-methyliminohexan-2-ol?
The canonical SMILES for (2R,3R)-3-methyl-4-methyliminohexan-2-ol is CC/C(=N\C)[C@@H](C)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-methyl-4-methyliminohexan-2-ol?
The InChIKey is OMQFLHNGCJZXFN-DXOPJGFUSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-8(9-4)6(2)7(3)10/h6-7,10H,5H2,1-4H3/b9-8+/t6-,7+/m0/s1.
What are the key properties of (2R,3R)-3-methyl-4-methyliminohexan-2-ol?
(2R,3R)-3-methyl-4-methyliminohexan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-4-methyliminohexan-2-ol is sourced from PubChem (CID 171517743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).