2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine

C9H17NO — CID 103075155

IUPAC2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
SMILESC=C(C)CCOCC(=C)CN
InChIInChI=1S/C9H17NO/c1-8(2)4-5-11-7-9(3)6-10/h1,3-7,10H2,2H3
InChIKeyLZDMPJOREFMAJU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds6

About 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine

2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine (PubChem CID 103075155) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
PubChem CID103075155
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
SMILESC=C(C)CCOCC(=C)CN
InChIInChI=1S/C9H17NO/c1-8(2)4-5-11-7-9(3)6-10/h1,3-7,10H2,2H3
InChIKeyLZDMPJOREFMAJU-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine (CID 103075155) is 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine is C=C(C)CCOCC(=C)CN.
What is the InChIKey of 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine?
The InChIKey is LZDMPJOREFMAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)4-5-11-7-9(3)6-10/h1,3-7,10H2,2H3.
What are the key properties of 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine?
2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).