1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol

C16H33NO2 — CID 79357968

IUPAC1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
SMILESCCCCCCOCC(O)CNC1C(C)(C)C1(C)C
InChIInChI=1S/C16H33NO2/c1-6-7-8-9-10-19-12-13(18)11-17-14-15(2,3)16(14,4)5/h13-14,17-18H,6-12H2,1-5H3
InChIKeyHJAQMCVQJGHSHK-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds10

About 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol

1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol (PubChem CID 79357968) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
PubChem CID79357968
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
SMILESCCCCCCOCC(O)CNC1C(C)(C)C1(C)C
InChIInChI=1S/C16H33NO2/c1-6-7-8-9-10-19-12-13(18)11-17-14-15(2,3)16(14,4)5/h13-14,17-18H,6-12H2,1-5H3
InChIKeyHJAQMCVQJGHSHK-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
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-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
CID 60632322
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062780
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-icosoxybutan-2-ol
CID 58176389
(2S)-1-octoxybutan-2-ol
CID 88988399

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The IUPAC name of 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol (CID 79357968) is 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The canonical SMILES for 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol is CCCCCCOCC(O)CNC1C(C)(C)C1(C)C.
What is the InChIKey of 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The InChIKey is HJAQMCVQJGHSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-6-7-8-9-10-19-12-13(18)11-17-14-15(2,3)16(14,4)5/h13-14,17-18H,6-12H2,1-5H3.
What are the key properties of 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 79357968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).