(2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol

C17H32N2O2 — CID 24835735

IUPAC(2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
SMILESCCN(CC)C[C@@H](O)CO/N=C1\C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C17H32N2O2/c1-6-19(7-2)11-14(20)12-21-18-15-10-13-8-9-17(15,5)16(13,3)4/h13-14,20H,6-12H2,1-5H3/b18-15+/t13-,14-,17+/m1/s1
InChIKeyILFLTLLQADLATM-XCKUNCRFSA-N
MW296.45 g/mol
LogP2.91
Rot. Bonds7

About (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol

(2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol (PubChem CID 24835735) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
PubChem CID24835735
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
SMILESCCN(CC)C[C@@H](O)CO/N=C1\C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C17H32N2O2/c1-6-19(7-2)11-14(20)12-21-18-15-10-13-8-9-17(15,5)16(13,3)4/h13-14,20H,6-12H2,1-5H3/b18-15+/t13-,14-,17+/m1/s1
InChIKeyILFLTLLQADLATM-XCKUNCRFSA-N
XLogP2.91
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
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-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The IUPAC name of (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol (CID 24835735) is (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The canonical SMILES for (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol is CCN(CC)C[C@@H](O)CO/N=C1\C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The InChIKey is ILFLTLLQADLATM-XCKUNCRFSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-19(7-2)11-14(20)12-21-18-15-10-13-8-9-17(15,5)16(13,3)4/h13-14,20H,6-12H2,1-5H3/b18-15+/t13-,14-,17+/m1/s1.
What are the key properties of (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
(2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol has a molecular weight of 296.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(diethylamino)-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol is sourced from PubChem (CID 24835735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).