1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol

C17H35NO3 — CID 79352097

IUPAC1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C17H35NO3/c1-6-7-8-20-9-10-21-13-14(19)11-18-12-15-16(2,3)17(15,4)5/h14-15,18-19H,6-13H2,1-5H3
InChIKeyYQWSDAZXZCEDNE-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.45
Rot. Bonds12

About 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol

1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol (PubChem CID 79352097) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol
PubChem CID79352097
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C17H35NO3/c1-6-7-8-20-9-10-21-13-14(19)11-18-12-15-16(2,3)17(15,4)5/h14-15,18-19H,6-13H2,1-5H3
InChIKeyYQWSDAZXZCEDNE-UHFFFAOYSA-N
XLogP2.45
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107417945
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107263614
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79357968
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 107262418
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol (CID 79352097) is 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol is CCCCOCCOCC(O)CNCC1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol?
The InChIKey is YQWSDAZXZCEDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-6-7-8-20-9-10-21-13-14(19)11-18-12-15-16(2,3)17(15,4)5/h14-15,18-19H,6-13H2,1-5H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol?
1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol has a molecular weight of 301.47 g/mol, XLogP of 2.45, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol is sourced from PubChem (CID 79352097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).