2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol

C8H18N2O — CID 103069515

IUPAC2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNC)CN(C)CCO
InChIInChI=1S/C8H18N2O/c1-8(6-9-2)7-10(3)4-5-11/h9,11H,1,4-7H2,2-3H3
InChIKeyIHNTWMQHTHBCMV-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.31
Rot. Bonds6

About 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol

2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 103069515) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID103069515
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNC)CN(C)CCO
InChIInChI=1S/C8H18N2O/c1-8(6-9-2)7-10(3)4-5-11/h9,11H,1,4-7H2,2-3H3
InChIKeyIHNTWMQHTHBCMV-UHFFFAOYSA-N
XLogP-0.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol (CID 103069515) is 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNC)CN(C)CCO.
What is the InChIKey of 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is IHNTWMQHTHBCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(6-9-2)7-10(3)4-5-11/h9,11H,1,4-7H2,2-3H3.
What are the key properties of 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 158.24 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103069515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).