1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol

C13H30N2O3 — CID 106989627

IUPAC1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC(CN(C)C)C(C)C
InChIInChI=1S/C13H30N2O3/c1-11(2)13(9-15(3)4)14-8-12(16)10-18-7-6-17-5/h11-14,16H,6-10H2,1-5H3
InChIKeyJUQGFCNCDXZNNX-UHFFFAOYSA-N
MW262.39 g/mol
LogP0.19
Rot. Bonds11

About 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol

1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989627) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989627
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Name1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC(CN(C)C)C(C)C
InChIInChI=1S/C13H30N2O3/c1-11(2)13(9-15(3)4)14-8-12(16)10-18-7-6-17-5/h11-14,16H,6-10H2,1-5H3
InChIKeyJUQGFCNCDXZNNX-UHFFFAOYSA-N
XLogP0.19
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol
CID 115718065
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 54956919
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol (CID 106989627) is 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNC(CN(C)C)C(C)C.
What is the InChIKey of 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is JUQGFCNCDXZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3/c1-11(2)13(9-15(3)4)14-8-12(16)10-18-7-6-17-5/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol?
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 262.39 g/mol, XLogP of 0.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).