ethane;1-propoxy-3-(propylamino)propan-2-ol

C11H27NO2 — CID 90907979

IUPACethane;1-propoxy-3-(propylamino)propan-2-ol
SMILESCC.CCCNCC(O)COCCC
InChIInChI=1S/C9H21NO2.C2H6/c1-3-5-10-7-9(11)8-12-6-4-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3
InChIKeyFSWFNIVWPFZSMC-UHFFFAOYSA-N
MW205.34 g/mol
LogP1.80
Rot. Bonds8

About ethane;1-propoxy-3-(propylamino)propan-2-ol

ethane;1-propoxy-3-(propylamino)propan-2-ol (PubChem CID 90907979) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;1-propoxy-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Nameethane;1-propoxy-3-(propylamino)propan-2-ol
PubChem CID90907979
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Nameethane;1-propoxy-3-(propylamino)propan-2-ol
SMILESCC.CCCNCC(O)COCCC
InChIInChI=1S/C9H21NO2.C2H6/c1-3-5-10-7-9(11)8-12-6-4-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3
InChIKeyFSWFNIVWPFZSMC-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
(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
2-[(3-butoxy-2-hydroxypropyl)amino]ethylphosphonic acid
CID 175621225
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286

Frequently Asked Questions

What is the IUPAC name of ethane;1-propoxy-3-(propylamino)propan-2-ol?
The IUPAC name of ethane;1-propoxy-3-(propylamino)propan-2-ol (CID 90907979) is ethane;1-propoxy-3-(propylamino)propan-2-ol.
What is the SMILES notation for ethane;1-propoxy-3-(propylamino)propan-2-ol?
The canonical SMILES for ethane;1-propoxy-3-(propylamino)propan-2-ol is CC.CCCNCC(O)COCCC.
What is the InChIKey of ethane;1-propoxy-3-(propylamino)propan-2-ol?
The InChIKey is FSWFNIVWPFZSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2.C2H6/c1-3-5-10-7-9(11)8-12-6-4-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propoxy-3-(propylamino)propan-2-ol?
ethane;1-propoxy-3-(propylamino)propan-2-ol has a molecular weight of 205.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propoxy-3-(propylamino)propan-2-ol is sourced from PubChem (CID 90907979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).