2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol

C12H27NO4 — CID 106989573

IUPAC2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
SMILESCOCCOCC(O)CNC(CO)CC(C)C
InChIInChI=1S/C12H27NO4/c1-10(2)6-11(8-14)13-7-12(15)9-17-5-4-16-3/h10-15H,4-9H2,1-3H3
InChIKeyJHXVBQZNZQPRFN-UHFFFAOYSA-N
MW249.35 g/mol
LogP0.01
Rot. Bonds11

About 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol

2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol (PubChem CID 106989573) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
PubChem CID106989573
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
SMILESCOCCOCC(O)CNC(CO)CC(C)C
InChIInChI=1S/C12H27NO4/c1-10(2)6-11(8-14)13-7-12(15)9-17-5-4-16-3/h10-15H,4-9H2,1-3H3
InChIKeyJHXVBQZNZQPRFN-UHFFFAOYSA-N
XLogP0.01
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol
CID 61246280
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
2-(2-hydroxybutylamino)-4-methylpentan-1-ol
CID 61245406
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
1-(2-methoxyethoxy)-3-(1-methylsulfanylbutan-2-ylamino)propan-2-ol
CID 106990546
4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
CID 106451757
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
CID 61245995
2-[(2-hydroxy-3-octoxypropyl)amino]propane-1,3-diol
CID 65314677

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol (CID 106989573) is 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol is COCCOCC(O)CNC(CO)CC(C)C.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol?
The InChIKey is JHXVBQZNZQPRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-10(2)6-11(8-14)13-7-12(15)9-17-5-4-16-3/h10-15H,4-9H2,1-3H3.
What are the key properties of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol?
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 0.01, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106989573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).