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

C16H33NO3 — CID 107417945

IUPAC1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCC1CCCC1C
InChIInChI=1S/C16H33NO3/c1-3-4-8-19-9-10-20-13-16(18)12-17-11-15-7-5-6-14(15)2/h14-18H,3-13H2,1-2H3
InChIKeyWAXFDINTTAKHIU-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.21
Rot. Bonds12

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

1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol (PubChem CID 107417945) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
PubChem CID107417945
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCC1CCCC1C
InChIInChI=1S/C16H33NO3/c1-3-4-8-19-9-10-20-13-16(18)12-17-11-15-7-5-6-14(15)2/h14-18H,3-13H2,1-2H3
InChIKeyWAXFDINTTAKHIU-UHFFFAOYSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 64910739
1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol
CID 79352097
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107263614
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
CID 76912799
1-cyclopentyl-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107418138
1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
CID 63994700
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
CID 60632322

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol (CID 107417945) is 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol is CCCCOCCOCC(O)CNCC1CCCC1C.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol?
The InChIKey is WAXFDINTTAKHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-3-4-8-19-9-10-20-13-16(18)12-17-11-15-7-5-6-14(15)2/h14-18H,3-13H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol?
1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol has a molecular weight of 287.44 g/mol, XLogP of 2.21, 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-methylcyclopentyl)methylamino]propan-2-ol is sourced from PubChem (CID 107417945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).