1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol

C15H33NO2 — CID 102905545

IUPAC1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNCC(C(C)C)C(C)C
InChIInChI=1S/C15H33NO2/c1-11(2)9-18-10-14(17)7-16-8-15(12(3)4)13(5)6/h11-17H,7-10H2,1-6H3
InChIKeyHUUZROPMMNAIPU-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.54
Rot. Bonds10

About 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol

1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 102905545) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID102905545
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNCC(C(C)C)C(C)C
InChIInChI=1S/C15H33NO2/c1-11(2)9-18-10-14(17)7-16-8-15(12(3)4)13(5)6/h11-17H,7-10H2,1-6H3
InChIKeyHUUZROPMMNAIPU-UHFFFAOYSA-N
XLogP2.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 114147912
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
CID 114150038

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol (CID 102905545) is 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CNCC(C(C)C)C(C)C.
What is the InChIKey of 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is HUUZROPMMNAIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-11(2)9-18-10-14(17)7-16-8-15(12(3)4)13(5)6/h11-17H,7-10H2,1-6H3.
What are the key properties of 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol?
1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 259.43 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 102905545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).