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

C17H32N2O2 — CID 10780290

IUPAC1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
SMILESCCN(CC)CC(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+/m0/s1
InChIKeyILFLTLLQADLATM-SCLKBQFFSA-N
MW296.45 g/mol
LogP2.91
Rot. Bonds7

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

1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol (PubChem CID 10780290) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
PubChem CID10780290
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
SMILESCCN(CC)CC(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+/m0/s1
InChIKeyILFLTLLQADLATM-SCLKBQFFSA-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 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol (CID 10780290) is 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol is CCN(CC)CC(O)CO/N=C1\C[C@@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The InChIKey is ILFLTLLQADLATM-SCLKBQFFSA-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+/m0/s1.
What are the key properties of 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
1-(diethylamino)-3-[(E)-[(1S,4S)-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 1-(diethylamino)-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol is sourced from PubChem (CID 10780290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).