1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol

C13H29NO4 — CID 61035306

IUPAC1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCCN(CCOC)CC(O)COC(C)C
InChIInChI=1S/C13H29NO4/c1-12(2)18-11-13(15)10-14(7-9-17-4)6-5-8-16-3/h12-13,15H,5-11H2,1-4H3
InChIKeyBBNXNKMMKIDGQE-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.76
Rot. Bonds12

About 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol

1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 61035306) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID61035306
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCCN(CCOC)CC(O)COC(C)C
InChIInChI=1S/C13H29NO4/c1-12(2)18-11-13(15)10-14(7-9-17-4)6-5-8-16-3/h12-13,15H,5-11H2,1-4H3
InChIKeyBBNXNKMMKIDGQE-UHFFFAOYSA-N
XLogP0.76
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95357959
1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713119
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
1-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 61059447
(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161338
(2R)-1-[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93163531
1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
CID 102995834
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
CID 54985437
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 61035306) is 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol is COCCCN(CCOC)CC(O)COC(C)C.
What is the InChIKey of 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is BBNXNKMMKIDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-12(2)18-11-13(15)10-14(7-9-17-4)6-5-8-16-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 0.76, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 61035306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).