2-[methyl(propyl)amino]but-1-en-1-ol

C8H17NO — CID 142860030

IUPAC2-[methyl(propyl)amino]but-1-en-1-ol
SMILESCCCN(C)C(=CO)CC
InChIInChI=1S/C8H17NO/c1-4-6-9(3)8(5-2)7-10/h7,10H,4-6H2,1-3H3
InChIKeyXPEZSCQFKQNAAO-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.14
Rot. Bonds4

About 2-[methyl(propyl)amino]but-1-en-1-ol

2-[methyl(propyl)amino]but-1-en-1-ol (PubChem CID 142860030) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]but-1-en-1-ol.

Molecular Properties

Compound Name2-[methyl(propyl)amino]but-1-en-1-ol
PubChem CID142860030
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[methyl(propyl)amino]but-1-en-1-ol
SMILESCCCN(C)C(=CO)CC
InChIInChI=1S/C8H17NO/c1-4-6-9(3)8(5-2)7-10/h7,10H,4-6H2,1-3H3
InChIKeyXPEZSCQFKQNAAO-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]but-1-en-1-ol?
The IUPAC name of 2-[methyl(propyl)amino]but-1-en-1-ol (CID 142860030) is 2-[methyl(propyl)amino]but-1-en-1-ol.
What is the SMILES notation for 2-[methyl(propyl)amino]but-1-en-1-ol?
The canonical SMILES for 2-[methyl(propyl)amino]but-1-en-1-ol is CCCN(C)C(=CO)CC.
What is the InChIKey of 2-[methyl(propyl)amino]but-1-en-1-ol?
The InChIKey is XPEZSCQFKQNAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-9(3)8(5-2)7-10/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-[methyl(propyl)amino]but-1-en-1-ol?
2-[methyl(propyl)amino]but-1-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]but-1-en-1-ol is sourced from PubChem (CID 142860030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).