(2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol

C16H32N2O2 — CID 129365880

IUPAC(2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol
SMILESC[C@H]1C/C(=N/OC[C@H](O)CNC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O2/c1-12-7-13(9-16(5,6)8-12)18-20-11-14(19)10-17-15(2,3)4/h12,14,17,19H,7-11H2,1-6H3/b18-13-/t12-,14+/m0/s1
InChIKeyYQZGYLVYTGIJAX-IBPWEAQYSA-N
MW284.44 g/mol
LogP2.95
Rot. Bonds5

About (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol

(2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol (PubChem CID 129365880) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol
PubChem CID129365880
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol
SMILESC[C@H]1C/C(=N/OC[C@H](O)CNC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O2/c1-12-7-13(9-16(5,6)8-12)18-20-11-14(19)10-17-15(2,3)4/h12,14,17,19H,7-11H2,1-6H3/b18-13-/t12-,14+/m0/s1
InChIKeyYQZGYLVYTGIJAX-IBPWEAQYSA-N
XLogP2.95
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol?
The IUPAC name of (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol (CID 129365880) is (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol?
The canonical SMILES for (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol is C[C@H]1C/C(=N/OC[C@H](O)CNC(C)(C)C)CC(C)(C)C1.
What is the InChIKey of (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol?
The InChIKey is YQZGYLVYTGIJAX-IBPWEAQYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12-7-13(9-16(5,6)8-12)18-20-11-14(19)10-17-15(2,3)4/h12,14,17,19H,7-11H2,1-6H3/b18-13-/t12-,14+/m0/s1.
What are the key properties of (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol?
(2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(tert-butylamino)-3-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxypropan-2-ol is sourced from PubChem (CID 129365880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).