2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene

C11H28N2O — CID 142048296

IUPAC2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene
SMILESC=C(C)C.CCCNC.CNCCO
InChIInChI=1S/C4H11N.C4H8.C3H9NO/c1-3-4-5-2;1-4(2)3;1-4-2-3-5/h5H,3-4H2,1-2H3;1H2,2-3H3;4-5H,2-3H2,1H3
InChIKeyJHTSQPMVGUIUAF-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.40
Rot. Bonds4

About 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene

2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene (PubChem CID 142048296) has the molecular formula C11H28N2O and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene.

Molecular Properties

Compound Name2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene
PubChem CID142048296
Molecular FormulaC11H28N2O
Molecular Weight204.36 g/mol
Exact Mass204.22
IUPAC Name2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene
SMILESC=C(C)C.CCCNC.CNCCO
InChIInChI=1S/C4H11N.C4H8.C3H9NO/c1-3-4-5-2;1-4(2)3;1-4-2-3-5/h5H,3-4H2,1-2H3;1H2,2-3H3;4-5H,2-3H2,1H3
InChIKeyJHTSQPMVGUIUAF-UHFFFAOYSA-N
XLogP1.40
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene?
The IUPAC name of 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene (CID 142048296) is 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene.
What is the SMILES notation for 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene?
The canonical SMILES for 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene is C=C(C)C.CCCNC.CNCCO.
What is the InChIKey of 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene?
The InChIKey is JHTSQPMVGUIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H8.C3H9NO/c1-3-4-5-2;1-4(2)3;1-4-2-3-5/h5H,3-4H2,1-2H3;1H2,2-3H3;4-5H,2-3H2,1H3.
What are the key properties of 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene?
2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene has a molecular weight of 204.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene is sourced from PubChem (CID 142048296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).