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

C9H17NO — CID 130128100

IUPAC1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol
SMILESC#CC(C)(C)N(C)CC(C)O
InChIInChI=1S/C9H17NO/c1-6-9(3,4)10(5)7-8(2)11/h1,8,11H,7H2,2-5H3
InChIKeyBOZKIAVCQBKNIT-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds3

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

1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol (PubChem CID 130128100) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol
PubChem CID130128100
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol
SMILESC#CC(C)(C)N(C)CC(C)O
InChIInChI=1S/C9H17NO/c1-6-9(3,4)10(5)7-8(2)11/h1,8,11H,7H2,2-5H3
InChIKeyBOZKIAVCQBKNIT-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid
CID 62819775
1-[methyl-[2-methyl-1-[methyl(2-methylbutan-2-yl)amino]propan-2-yl]amino]propan-2-ol
CID 165002864
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
bis((2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol);2-methylpropan-2-ol;zirconium;dihydrate
CID 134991132
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol
CID 65277906
2-[methyl(2,4,4-trimethylhex-5-yn-2-yl)amino]ethanol
CID 143222915
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
3,3-dimethylhex-5-yne-2,4-diol
CID 130124828
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol (CID 130128100) is 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol is C#CC(C)(C)N(C)CC(C)O.
What is the InChIKey of 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol?
The InChIKey is BOZKIAVCQBKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-9(3,4)10(5)7-8(2)11/h1,8,11H,7H2,2-5H3.
What are the key properties of 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol?
1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol is sourced from PubChem (CID 130128100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).