2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine

C9H17NO — CID 103074250

IUPAC2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine
SMILESC=CCCOCC(=C)CNC
InChIInChI=1S/C9H17NO/c1-4-5-6-11-8-9(2)7-10-3/h4,10H,1-2,5-8H2,3H3
InChIKeyKQLHYSKKBSCGIR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds7

About 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine

2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine (PubChem CID 103074250) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine
PubChem CID103074250
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine
SMILESC=CCCOCC(=C)CNC
InChIInChI=1S/C9H17NO/c1-4-5-6-11-8-9(2)7-10-3/h4,10H,1-2,5-8H2,3H3
InChIKeyKQLHYSKKBSCGIR-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615
(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine
CID 142412370
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
3-but-3-enoxy-N-methylpropan-1-amine
CID 62440751
N,2,2-trimethyl-3-prop-2-enoxypropan-1-amine
CID 79620829
3-but-3-enoxy-N,2,2-trimethylpropan-1-amine
CID 79621471
2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640511
2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074244
N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074245
2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074246

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine (CID 103074250) is 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine is C=CCCOCC(=C)CNC.
What is the InChIKey of 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine?
The InChIKey is KQLHYSKKBSCGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-11-8-9(2)7-10-3/h4,10H,1-2,5-8H2,3H3.
What are the key properties of 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine?
2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103074250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).