(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol

C18H40N2O4 — CID 92759286

IUPAC(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
SMILESCC(C)CCOC[C@H](O)CNCCNC[C@@H](O)COCCC(C)C
InChIInChI=1S/C18H40N2O4/c1-15(2)5-9-23-13-17(21)11-19-7-8-20-12-18(22)14-24-10-6-16(3)4/h15-22H,5-14H2,1-4H3/t17-,18-/m1/s1
InChIKeyOXAYASBURPDVLO-QZTJIDSGSA-N
MW348.53 g/mol
LogP1.01
Rot. Bonds17

About (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol

(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol (PubChem CID 92759286) has the molecular formula C18H40N2O4 and a molecular weight of 348.53 g/mol. Its IUPAC name is (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
PubChem CID92759286
Molecular FormulaC18H40N2O4
Molecular Weight348.53 g/mol
Exact Mass348.30
IUPAC Name(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
SMILESCC(C)CCOC[C@H](O)CNCCNC[C@@H](O)COCCC(C)C
InChIInChI=1S/C18H40N2O4/c1-15(2)5-9-23-13-17(21)11-19-7-8-20-12-18(22)14-24-10-6-16(3)4/h15-22H,5-14H2,1-4H3/t17-,18-/m1/s1
InChIKeyOXAYASBURPDVLO-QZTJIDSGSA-N
XLogP1.01
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol with MolForge

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Related Compounds

1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
1-(4-methylpentoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905327

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol?
The IUPAC name of (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol (CID 92759286) is (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol is CC(C)CCOC[C@H](O)CNCCNC[C@@H](O)COCCC(C)C.
What is the InChIKey of (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol?
The InChIKey is OXAYASBURPDVLO-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H40N2O4/c1-15(2)5-9-23-13-17(21)11-19-7-8-20-12-18(22)14-24-10-6-16(3)4/h15-22H,5-14H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol?
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol has a molecular weight of 348.53 g/mol, XLogP of 1.01, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol is sourced from PubChem (CID 92759286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).