1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol

C12H28N2O2 — CID 115895816

IUPAC1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol
SMILESCOCC(NCC(C)(O)CN(C)C)C(C)C
InChIInChI=1S/C12H28N2O2/c1-10(2)11(7-16-6)13-8-12(3,15)9-14(4)5/h10-11,13,15H,7-9H2,1-6H3
InChIKeySUAPXUWWOOZCEZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.56
Rot. Bonds8

About 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol (PubChem CID 115895816) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol
PubChem CID115895816
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol
SMILESCOCC(NCC(C)(O)CN(C)C)C(C)C
InChIInChI=1S/C12H28N2O2/c1-10(2)11(7-16-6)13-8-12(3,15)9-14(4)5/h10-11,13,15H,7-9H2,1-6H3
InChIKeySUAPXUWWOOZCEZ-UHFFFAOYSA-N
XLogP0.56
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate
CID 79624902
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145662
1-[2-methoxyethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66336062
1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol
CID 115906563
1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 103904363
N-tert-butyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]acetamide
CID 65048909
2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide
CID 103839615
1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
CID 114150038
1-(1-cyclopropylpropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 115895807

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol (CID 115895816) is 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol is COCC(NCC(C)(O)CN(C)C)C(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol?
The InChIKey is SUAPXUWWOOZCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-10(2)11(7-16-6)13-8-12(3,15)9-14(4)5/h10-11,13,15H,7-9H2,1-6H3.
What are the key properties of 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 115895816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).