1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol

C14H26N2O2 — CID 10467512

IUPAC1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol
SMILESCC(C)(C)NCC(O)CON=C(C1CC1)C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)15-8-12(17)9-18-16-13(10-4-5-10)11-6-7-11/h10-12,15,17H,4-9H2,1-3H3
InChIKeyFLNWZZIIHDRLFB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.93
Rot. Bonds7

About 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol

1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol (PubChem CID 10467512) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol
PubChem CID10467512
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol
SMILESCC(C)(C)NCC(O)CON=C(C1CC1)C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)15-8-12(17)9-18-16-13(10-4-5-10)11-6-7-11/h10-12,15,17H,4-9H2,1-3H3
InChIKeyFLNWZZIIHDRLFB-UHFFFAOYSA-N
XLogP1.93
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.93
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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Related Compounds

(2R)-1-(4-tert-butylanilino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol
CID 10761447
1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol
CID 10523732
1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol
CID 574454
[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate
CID 14856226
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
(2R)-1-(tert-butylamino)-3-[[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino]oxypropan-2-ol
CID 129437551
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol
CID 10356679
1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol
CID 115476156
1-(tert-butylamino)-3-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylideneamino]oxypropan-2-ol
CID 3704457
1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol
CID 115476122

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol (CID 10467512) is 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol is CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1.
What is the InChIKey of 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol?
The InChIKey is FLNWZZIIHDRLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)15-8-12(17)9-18-16-13(10-4-5-10)11-6-7-11/h10-12,15,17H,4-9H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol?
1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol has a molecular weight of 254.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol is sourced from PubChem (CID 10467512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).