2-(butylamino)ethanol;2-methylbut-2-ene

C11H25NO — CID 142067727

IUPAC2-(butylamino)ethanol;2-methylbut-2-ene
SMILESCC=C(C)C.CCCCNCCO
InChIInChI=1S/C6H15NO.C5H10/c1-2-3-4-7-5-6-8;1-4-5(2)3/h7-8H,2-6H2,1H3;4H,1-3H3
InChIKeyMWQPALQRIFKLKH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.34
Rot. Bonds5

About 2-(butylamino)ethanol;2-methylbut-2-ene

2-(butylamino)ethanol;2-methylbut-2-ene (PubChem CID 142067727) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(butylamino)ethanol;2-methylbut-2-ene.

Molecular Properties

Compound Name2-(butylamino)ethanol;2-methylbut-2-ene
PubChem CID142067727
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(butylamino)ethanol;2-methylbut-2-ene
SMILESCC=C(C)C.CCCCNCCO
InChIInChI=1S/C6H15NO.C5H10/c1-2-3-4-7-5-6-8;1-4-5(2)3/h7-8H,2-6H2,1H3;4H,1-3H3
InChIKeyMWQPALQRIFKLKH-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Methylprop-2-en-1-yl)amino]ethan-1-ol
CID 19100967
Dimethylallylglycinol
CID 55206691
2-(3-Methylbut-3-enylamino)ethanol;hydrochloride
CID 22722979
2-(3-Methylbut-3-enylamino)ethanol
CID 22722980
1-(3-Methylbut-2-enylamino)propan-2-ol
CID 88198430
2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol
CID 121388690
2-[2-(2-Methylprop-2-enylamino)ethylamino]ethanol
CID 126536249
2-(Butylamino)ethanol;prop-1-ene
CID 141859382
2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene
CID 142048296
2-[[(E)-but-2-enyl]amino]ethanol;ethane
CID 144171753
2-(Methylamino)ethanol;methylidenetungsten;2-methylprop-1-ene
CID 144834541
2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol
CID 144867756

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)ethanol;2-methylbut-2-ene?
The IUPAC name of 2-(butylamino)ethanol;2-methylbut-2-ene (CID 142067727) is 2-(butylamino)ethanol;2-methylbut-2-ene.
What is the SMILES notation for 2-(butylamino)ethanol;2-methylbut-2-ene?
The canonical SMILES for 2-(butylamino)ethanol;2-methylbut-2-ene is CC=C(C)C.CCCCNCCO.
What is the InChIKey of 2-(butylamino)ethanol;2-methylbut-2-ene?
The InChIKey is MWQPALQRIFKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C5H10/c1-2-3-4-7-5-6-8;1-4-5(2)3/h7-8H,2-6H2,1H3;4H,1-3H3.
What are the key properties of 2-(butylamino)ethanol;2-methylbut-2-ene?
2-(butylamino)ethanol;2-methylbut-2-ene has a molecular weight of 187.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)ethanol;2-methylbut-2-ene is sourced from PubChem (CID 142067727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).