2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol

C10H21NO — CID 115638245

IUPAC2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol
SMILESCC(C)=CCN(C)C(C)(C)CO
InChIInChI=1S/C10H21NO/c1-9(2)6-7-11(5)10(3,4)8-12/h6,12H,7-8H2,1-5H3
InChIKeyZDKZNISIYZNJDX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds4

About 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol

2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol (PubChem CID 115638245) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol
PubChem CID115638245
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol
SMILESCC(C)=CCN(C)C(C)(C)CO
InChIInChI=1S/C10H21NO/c1-9(2)6-7-11(5)10(3,4)8-12/h6,12H,7-8H2,1-5H3
InChIKeyZDKZNISIYZNJDX-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine
CID 107901201
2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol
CID 114449001
2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine
CID 107900993
2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 115665583
2-ethyl-4-[methyl(2-methylbutan-2-yl)amino]but-2-enoic acid
CID 77101675
2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
CID 115638029
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
N-methyl-N-(3-methylbut-2-enyl)cyclobutanamine
CID 126994828
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-prop-2-enylacetamide
CID 115638332
1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol
CID 115773243
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N,N-di(propan-2-yl)acetamide
CID 115638156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol (CID 115638245) is 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol is CC(C)=CCN(C)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol?
The InChIKey is ZDKZNISIYZNJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)6-7-11(5)10(3,4)8-12/h6,12H,7-8H2,1-5H3.
What are the key properties of 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol?
2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol is sourced from PubChem (CID 115638245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).