3-[ethyl(methyl)amino]but-1-yn-1-ol

C7H13NO — CID 154330111

IUPAC3-[ethyl(methyl)amino]but-1-yn-1-ol
SMILESCCN(C)C(C)C#CO
InChIInChI=1S/C7H13NO/c1-4-8(3)7(2)5-6-9/h7,9H,4H2,1-3H3
InChIKeyVXOKMTVCRNFIKY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds2

About 3-[ethyl(methyl)amino]but-1-yn-1-ol

3-[ethyl(methyl)amino]but-1-yn-1-ol (PubChem CID 154330111) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]but-1-yn-1-ol.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]but-1-yn-1-ol
PubChem CID154330111
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-[ethyl(methyl)amino]but-1-yn-1-ol
SMILESCCN(C)C(C)C#CO
InChIInChI=1S/C7H13NO/c1-4-8(3)7(2)5-6-9/h7,9H,4H2,1-3H3
InChIKeyVXOKMTVCRNFIKY-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]but-1-yn-1-ol?
The IUPAC name of 3-[ethyl(methyl)amino]but-1-yn-1-ol (CID 154330111) is 3-[ethyl(methyl)amino]but-1-yn-1-ol.
What is the SMILES notation for 3-[ethyl(methyl)amino]but-1-yn-1-ol?
The canonical SMILES for 3-[ethyl(methyl)amino]but-1-yn-1-ol is CCN(C)C(C)C#CO.
What is the InChIKey of 3-[ethyl(methyl)amino]but-1-yn-1-ol?
The InChIKey is VXOKMTVCRNFIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-8(3)7(2)5-6-9/h7,9H,4H2,1-3H3.
What are the key properties of 3-[ethyl(methyl)amino]but-1-yn-1-ol?
3-[ethyl(methyl)amino]but-1-yn-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]but-1-yn-1-ol is sourced from PubChem (CID 154330111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).