(1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine

C13H25N5O — CID 102227110

IUPAC(1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine
SMILES[N-]=[N+]=N[C@@H](C1CCCCC1)[C@H](N)CN1CCOCC1
InChIInChI=1S/C13H25N5O/c14-12(10-18-6-8-19-9-7-18)13(16-17-15)11-4-2-1-3-5-11/h11-13H,1-10,14H2/t12-,13+/m1/s1
InChIKeyZLGTYPQUBCVACW-OLZOCXBDSA-N
MW267.38 g/mol
LogP1.91
Rot. Bonds5

About (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine

(1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine (PubChem CID 102227110) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine
PubChem CID102227110
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name(1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine
SMILES[N-]=[N+]=N[C@@H](C1CCCCC1)[C@H](N)CN1CCOCC1
InChIInChI=1S/C13H25N5O/c14-12(10-18-6-8-19-9-7-18)13(16-17-15)11-4-2-1-3-5-11/h11-13H,1-10,14H2/t12-,13+/m1/s1
InChIKeyZLGTYPQUBCVACW-OLZOCXBDSA-N
XLogP1.91
TPSA87.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine?
The IUPAC name of (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine (CID 102227110) is (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine?
The canonical SMILES for (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine is [N-]=[N+]=N[C@@H](C1CCCCC1)[C@H](N)CN1CCOCC1.
What is the InChIKey of (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine?
The InChIKey is ZLGTYPQUBCVACW-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H25N5O/c14-12(10-18-6-8-19-9-7-18)13(16-17-15)11-4-2-1-3-5-11/h11-13H,1-10,14H2/t12-,13+/m1/s1.
What are the key properties of (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine?
(1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 102227110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).