1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol

C9H20N2O2 — CID 10103956

IUPAC1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol
SMILESCC/C=N/OCC(O)CNC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-5-11-13-7-9(12)6-10-8(2)3/h5,8-10,12H,4,6-7H2,1-3H3/b11-5+
InChIKeyOSCGPKRHGOYTDV-VZUCSPMQSA-N
MW188.27 g/mol
LogP0.76
Rot. Bonds7

About 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol

1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol (PubChem CID 10103956) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol
PubChem CID10103956
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol
SMILESCC/C=N/OCC(O)CNC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-5-11-13-7-9(12)6-10-8(2)3/h5,8-10,12H,4,6-7H2,1-3H3/b11-5+
InChIKeyOSCGPKRHGOYTDV-VZUCSPMQSA-N
XLogP0.76
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.76
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

1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
CID 164787457
CID 164787457
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 43166238
(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
CID 12624614
1-[4-(2-iodoethylideneamino)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 67657979
1-(2,3-dihexadecoxypropoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 23466152
(E)-but-2-enedioic acid;1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
CID 6447189
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol (CID 10103956) is 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol is CC/C=N/OCC(O)CNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol?
The InChIKey is OSCGPKRHGOYTDV-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-5-11-13-7-9(12)6-10-8(2)3/h5,8-10,12H,4,6-7H2,1-3H3/b11-5+.
What are the key properties of 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol?
1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol is sourced from PubChem (CID 10103956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).