2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol

C9H22N2O3 — CID 57175025

IUPAC2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol
SMILESCC(O)N(CNC(C)(C)CO)C(C)O
InChIInChI=1S/C9H22N2O3/c1-7(13)11(8(2)14)6-10-9(3,4)5-12/h7-8,10,12-14H,5-6H2,1-4H3
InChIKeyVXXSBXXJZPUDLB-UHFFFAOYSA-N
MW206.29 g/mol
LogP-0.72
Rot. Bonds6

About 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol

2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol (PubChem CID 57175025) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol
PubChem CID57175025
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol
SMILESCC(O)N(CNC(C)(C)CO)C(C)O
InChIInChI=1S/C9H22N2O3/c1-7(13)11(8(2)14)6-10-9(3,4)5-12/h7-8,10,12-14H,5-6H2,1-4H3
InChIKeyVXXSBXXJZPUDLB-UHFFFAOYSA-N
XLogP-0.72
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane
CID 158688440
2-(ethylamino)-2-methylpropan-1-ol
CID 15105174
2-methyl-2-(2-methylbutylamino)propan-1-ol
CID 43207248
2-methyl-2-[2-(methylamino)ethylamino]propan-1-ol
CID 132887947
2-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxypropyl]amino]-2-methylpropane-1,3-diol;2-[[2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl]amino]-2-methylpropan-1-ol
CID 158285222
1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol
CID 140991632
(2S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid
CID 7004980
2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol
CID 60909433
2-[[2-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 58721712
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
2-(ethylamino)-2-methylpropan-1-ol;1,2,3,4,5,6-hexamethylbenzene;ruthenium(3+)
CID 56947660

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol (CID 57175025) is 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol is CC(O)N(CNC(C)(C)CO)C(C)O.
What is the InChIKey of 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol?
The InChIKey is VXXSBXXJZPUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c1-7(13)11(8(2)14)6-10-9(3,4)5-12/h7-8,10,12-14H,5-6H2,1-4H3.
What are the key properties of 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol?
2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol has a molecular weight of 206.29 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 57175025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).