2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol

C12H25NO2 — CID 114465923

IUPAC2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
SMILESC=C(C)COCCNCC(C)(CC)CO
InChIInChI=1S/C12H25NO2/c1-5-12(4,10-14)9-13-6-7-15-8-11(2)3/h13-14H,2,5-10H2,1,3-4H3
InChIKeyISPUHOHXFWBBAC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.58
Rot. Bonds9

About 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol

2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol (PubChem CID 114465923) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
PubChem CID114465923
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
SMILESC=C(C)COCCNCC(C)(CC)CO
InChIInChI=1S/C12H25NO2/c1-5-12(4,10-14)9-13-6-7-15-8-11(2)3/h13-14H,2,5-10H2,1,3-4H3
InChIKeyISPUHOHXFWBBAC-UHFFFAOYSA-N
XLogP1.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-Prop-2-enoxyethylamino)methyl]cyclopropyl]methanol
CID 153618242
2-[(2-Ethoxyethylamino)methyl]-2-methylbutan-1-ol
CID 81412803
2-[(2-Butoxyethylamino)methyl]-2-methylbutan-1-ol
CID 81419125
2-[(2-But-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
CID 106397096
6-[2-(2-Methylprop-2-enoxy)ethylamino]hexan-1-ol
CID 107703679
3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114465874
2,2-Dimethyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol
CID 114465893
2-Ethyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
CID 114466016
4-[2-(2-Methylprop-2-enoxy)ethylamino]butan-1-ol
CID 114467080
2-Methyl-4-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467124
1-[2-(2-Methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467199
5-[2-(2-Methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 114467295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol (CID 114465923) is 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol is C=C(C)COCCNCC(C)(CC)CO.
What is the InChIKey of 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol?
The InChIKey is ISPUHOHXFWBBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(4,10-14)9-13-6-7-15-8-11(2)3/h13-14H,2,5-10H2,1,3-4H3.
What are the key properties of 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol?
2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 114465923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).