(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol

C18H40N2O4 — CID 92765334

IUPAC(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
SMILESCCCCCOC[C@H](O)CNCCNC[C@H](O)COCCCCC
InChIInChI=1S/C18H40N2O4/c1-3-5-7-11-23-15-17(21)13-19-9-10-20-14-18(22)16-24-12-8-6-4-2/h17-22H,3-16H2,1-2H3/t17-,18+
InChIKeyPSPSDCDWUSVNRF-HDICACEKSA-N
MW348.53 g/mol
LogP1.30
Rot. Bonds19

About (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol

(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol (PubChem CID 92765334) has the molecular formula C18H40N2O4 and a molecular weight of 348.53 g/mol. Its IUPAC name is (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
PubChem CID92765334
Molecular FormulaC18H40N2O4
Molecular Weight348.53 g/mol
Exact Mass348.30
IUPAC Name(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
SMILESCCCCCOC[C@H](O)CNCCNC[C@H](O)COCCCCC
InChIInChI=1S/C18H40N2O4/c1-3-5-7-11-23-15-17(21)13-19-9-10-20-14-18(22)16-24-12-8-6-4-2/h17-22H,3-16H2,1-2H3/t17-,18+
InChIKeyPSPSDCDWUSVNRF-HDICACEKSA-N
XLogP1.30
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 51.30
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-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol with MolForge

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Related Compounds

1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
CID 60635450
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol?
The IUPAC name of (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol (CID 92765334) is (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol?
The canonical SMILES for (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol is CCCCCOC[C@H](O)CNCCNC[C@H](O)COCCCCC.
What is the InChIKey of (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol?
The InChIKey is PSPSDCDWUSVNRF-HDICACEKSA-N. The full InChI is InChI=1S/C18H40N2O4/c1-3-5-7-11-23-15-17(21)13-19-9-10-20-14-18(22)16-24-12-8-6-4-2/h17-22H,3-16H2,1-2H3/t17-,18+.
What are the key properties of (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol?
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol has a molecular weight of 348.53 g/mol, XLogP of 1.30, 19 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol is sourced from PubChem (CID 92765334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).