(3S,4R)-4-N-cyclohexyloxane-3,4-diamine

C11H22N2O — CID 58381325

IUPAC(3S,4R)-4-N-cyclohexyloxane-3,4-diamine
SMILESN[C@@H]1COCC[C@H]1NC1CCCCC1
InChIInChI=1S/C11H22N2O/c12-10-8-14-7-6-11(10)13-9-4-2-1-3-5-9/h9-11,13H,1-8,12H2/t10-,11-/m1/s1
InChIKeyMLKNEUZNXACDJT-GHMZBOCLSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds2

About (3S,4R)-4-N-cyclohexyloxane-3,4-diamine

(3S,4R)-4-N-cyclohexyloxane-3,4-diamine (PubChem CID 58381325) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S,4R)-4-N-cyclohexyloxane-3,4-diamine.

Molecular Properties

Compound Name(3S,4R)-4-N-cyclohexyloxane-3,4-diamine
PubChem CID58381325
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S,4R)-4-N-cyclohexyloxane-3,4-diamine
SMILESN[C@@H]1COCC[C@H]1NC1CCCCC1
InChIInChI=1S/C11H22N2O/c12-10-8-14-7-6-11(10)13-9-4-2-1-3-5-9/h9-11,13H,1-8,12H2/t10-,11-/m1/s1
InChIKeyMLKNEUZNXACDJT-GHMZBOCLSA-N
XLogP1.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-N-cyclohexyloxane-3,4-diamine?
The IUPAC name of (3S,4R)-4-N-cyclohexyloxane-3,4-diamine (CID 58381325) is (3S,4R)-4-N-cyclohexyloxane-3,4-diamine.
What is the SMILES notation for (3S,4R)-4-N-cyclohexyloxane-3,4-diamine?
The canonical SMILES for (3S,4R)-4-N-cyclohexyloxane-3,4-diamine is N[C@@H]1COCC[C@H]1NC1CCCCC1.
What is the InChIKey of (3S,4R)-4-N-cyclohexyloxane-3,4-diamine?
The InChIKey is MLKNEUZNXACDJT-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22N2O/c12-10-8-14-7-6-11(10)13-9-4-2-1-3-5-9/h9-11,13H,1-8,12H2/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-4-N-cyclohexyloxane-3,4-diamine?
(3S,4R)-4-N-cyclohexyloxane-3,4-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-N-cyclohexyloxane-3,4-diamine is sourced from PubChem (CID 58381325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).