1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol

C14H31NO3 — CID 106991798

IUPAC1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(CC(C)C)CC(C)C
InChIInChI=1S/C14H31NO3/c1-12(2)8-15(9-13(3)4)10-14(16)11-18-7-6-17-5/h12-14,16H,6-11H2,1-5H3
InChIKeyUDMVMBOEIKHMLH-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.62
Rot. Bonds11

About 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol

1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106991798) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106991798
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(CC(C)C)CC(C)C
InChIInChI=1S/C14H31NO3/c1-12(2)8-15(9-13(3)4)10-14(16)11-18-7-6-17-5/h12-14,16H,6-11H2,1-5H3
InChIKeyUDMVMBOEIKHMLH-UHFFFAOYSA-N
XLogP1.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
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-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60752269
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
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-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid
CID 63931982
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
methane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane
CID 158287890
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol (CID 106991798) is 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN(CC(C)C)CC(C)C.
What is the InChIKey of 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is UDMVMBOEIKHMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-12(2)8-15(9-13(3)4)10-14(16)11-18-7-6-17-5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 1.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106991798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).