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

C7H15NO — CID 103074631

IUPAC2-(propoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCC
InChIInChI=1S/C7H15NO/c1-3-4-9-6-7(2)5-8/h2-6,8H2,1H3
InChIKeyOPCVCILJXBFOOM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds5

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

2-(propoxymethyl)prop-2-en-1-amine (PubChem CID 103074631) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(propoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(propoxymethyl)prop-2-en-1-amine
PubChem CID103074631
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(propoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCC
InChIInChI=1S/C7H15NO/c1-3-4-9-6-7(2)5-8/h2-6,8H2,1H3
InChIKeyOPCVCILJXBFOOM-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
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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Related Compounds

(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 14724218
(Z)-2-isopropoxymethyl-3fluoroallylamine
CID 14724219
(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 19858177
(Z)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 52914478
2-(Ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 54519097
3-Fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 54520682
(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine
CID 146492755
(E)-3-fluoro-2-(methoxymethyl)prop-2-en-1-amine
CID 146533122
(E)-3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 156372718
(Z)-3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 156372719
2-(2,2,2-Trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074347
2-(2,2,3,3-Tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074500

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(propoxymethyl)prop-2-en-1-amine (CID 103074631) is 2-(propoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(propoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(propoxymethyl)prop-2-en-1-amine is C=C(CN)COCCC.
What is the InChIKey of 2-(propoxymethyl)prop-2-en-1-amine?
The InChIKey is OPCVCILJXBFOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-9-6-7(2)5-8/h2-6,8H2,1H3.
What are the key properties of 2-(propoxymethyl)prop-2-en-1-amine?
2-(propoxymethyl)prop-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).