2-(2-methylpropoxy)prop-2-en-1-amine

C7H15NO — CID 130402787

IUPAC2-(2-methylpropoxy)prop-2-en-1-amine
SMILESC=C(CN)OCC(C)C
InChIInChI=1S/C7H15NO/c1-6(2)5-9-7(3)4-8/h6H,3-5,8H2,1-2H3
InChIKeyRDCGUVWJRLDVRC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.13
Rot. Bonds4

About 2-(2-methylpropoxy)prop-2-en-1-amine

2-(2-methylpropoxy)prop-2-en-1-amine (PubChem CID 130402787) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(2-methylpropoxy)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-methylpropoxy)prop-2-en-1-amine
PubChem CID130402787
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(2-methylpropoxy)prop-2-en-1-amine
SMILESC=C(CN)OCC(C)C
InChIInChI=1S/C7H15NO/c1-6(2)5-9-7(3)4-8/h6H,3-5,8H2,1-2H3
InChIKeyRDCGUVWJRLDVRC-UHFFFAOYSA-N
XLogP1.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)prop-2-en-1-amine?
The IUPAC name of 2-(2-methylpropoxy)prop-2-en-1-amine (CID 130402787) is 2-(2-methylpropoxy)prop-2-en-1-amine.
What is the SMILES notation for 2-(2-methylpropoxy)prop-2-en-1-amine?
The canonical SMILES for 2-(2-methylpropoxy)prop-2-en-1-amine is C=C(CN)OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)prop-2-en-1-amine?
The InChIKey is RDCGUVWJRLDVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)5-9-7(3)4-8/h6H,3-5,8H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)prop-2-en-1-amine?
2-(2-methylpropoxy)prop-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)prop-2-en-1-amine is sourced from PubChem (CID 130402787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).