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

C10H21NO — CID 114449001

IUPAC2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol
SMILESC=C(C)CCN(C)C(C)(C)CO
InChIInChI=1S/C10H21NO/c1-9(2)6-7-11(5)10(3,4)8-12/h12H,1,6-8H2,2-5H3
InChIKeyWHLAOPYFIQDSNY-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds5

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

2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol (PubChem CID 114449001) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol
PubChem CID114449001
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol
SMILESC=C(C)CCN(C)C(C)(C)CO
InChIInChI=1S/C10H21NO/c1-9(2)6-7-11(5)10(3,4)8-12/h12H,1,6-8H2,2-5H3
InChIKeyWHLAOPYFIQDSNY-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 115665583
2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
CID 115638029
2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol
CID 115638245
3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide
CID 113238914
2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 115638162
1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
CID 113476348
2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
CID 164680699
2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
CID 114472186
2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
CID 114473392
2-(dimethylamino)-2,6-dimethylhept-6-en-3-one
CID 114473625
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-prop-2-enylacetamide
CID 115638332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol (CID 114449001) is 2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol is C=C(C)CCN(C)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol?
The InChIKey is WHLAOPYFIQDSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)6-7-11(5)10(3,4)8-12/h12H,1,6-8H2,2-5H3.
What are the key properties of 2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol?
2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 5 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-3-enyl)amino]propan-1-ol is sourced from PubChem (CID 114449001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).