(2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol

C15H31N3O2 — CID 129437551

IUPAC(2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol
SMILESC[C@@H]1CN(C)[C@H](C)CC1=NOC[C@H](O)CNC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-11-9-18(6)12(2)7-14(11)17-20-10-13(19)8-16-15(3,4)5/h11-13,16,19H,7-10H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyAINOWFGVZXPIDC-JHJVBQTASA-N
MW285.43 g/mol
LogP1.47
Rot. Bonds5

About (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol

(2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol (PubChem CID 129437551) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol
PubChem CID129437551
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name(2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol
SMILESC[C@@H]1CN(C)[C@H](C)CC1=NOC[C@H](O)CNC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-11-9-18(6)12(2)7-14(11)17-20-10-13(19)8-16-15(3,4)5/h11-13,16,19H,7-10H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyAINOWFGVZXPIDC-JHJVBQTASA-N
XLogP1.47
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol?
The IUPAC name of (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol (CID 129437551) is (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol?
The canonical SMILES for (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol is C[C@@H]1CN(C)[C@H](C)CC1=NOC[C@H](O)CNC(C)(C)C.
What is the InChIKey of (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol?
The InChIKey is AINOWFGVZXPIDC-JHJVBQTASA-N. The full InChI is InChI=1S/C15H31N3O2/c1-11-9-18(6)12(2)7-14(11)17-20-10-13(19)8-16-15(3,4)5/h11-13,16,19H,7-10H2,1-6H3/t11-,12-,13-/m1/s1.
What are the key properties of (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol?
(2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol is sourced from PubChem (CID 129437551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).